6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine

C9H10ClN5S — CID 23477554

IUPAC6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
SMILESCc1nc(Nc2ncnc(Cl)c2N)sc1C
InChIInChI=1S/C9H10ClN5S/c1-4-5(2)16-9(14-4)15-8-6(11)7(10)12-3-13-8/h3H,11H2,1-2H3,(H,12,13,14,15)
InChIKeyMSGRTJXHPAZXOQ-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.53
Rot. Bonds2

About 6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine

6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine (PubChem CID 23477554) has the molecular formula C9H10ClN5S and a molecular weight of 255.73 g/mol. Its IUPAC name is 6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
PubChem CID23477554
Molecular FormulaC9H10ClN5S
Molecular Weight255.73 g/mol
Exact Mass255.03
IUPAC Name6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
SMILESCc1nc(Nc2ncnc(Cl)c2N)sc1C
InChIInChI=1S/C9H10ClN5S/c1-4-5(2)16-9(14-4)15-8-6(11)7(10)12-3-13-8/h3H,11H2,1-2H3,(H,12,13,14,15)
InChIKeyMSGRTJXHPAZXOQ-UHFFFAOYSA-N
XLogP2.53
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine (CID 23477554) is 6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine is Cc1nc(Nc2ncnc(Cl)c2N)sc1C.
What is the InChIKey of 6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
The InChIKey is MSGRTJXHPAZXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5S/c1-4-5(2)16-9(14-4)15-8-6(11)7(10)12-3-13-8/h3H,11H2,1-2H3,(H,12,13,14,15).
What are the key properties of 6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine has a molecular weight of 255.73 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 23477554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).