Details of the Drug

General Information of Drug (ID: DME8BLW)

Drug Name

4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine

Synonyms

364334-94-1; 4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-amine; 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE; 4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINE; CTFDMGIBHFQWKB-UHFFFAOYSA-N; 4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-ylamine; CK2; 4-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine; 1pxj; 2c5o; AC1L9LFI; Maybridge3_001247; CHEMBL47302; CS12; SCHEMBL4314069; BDBM8037; CTK4H6460; DTXSID70332264; MolPort-002-896-655; HMS1434I15; ZINC141286; HMS3604E21; ANW-58550; 4623AB; AKOS013063215; MCULE-3137548628; DB02091; CCG-243780

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

206.27

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C9H10N4S
IUPAC Name: 4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
Canonical SMILES: CC1=C(SC(=N1)C)C2=NC(=NC=C2)N
InChI: InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)
InChIKey: CTFDMGIBHFQWKB-UHFFFAOYSA-N