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

C10H12ClN5S — CID 78952189

IUPAC6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1ncsc1CN(C)c1cc(Cl)nc(N)n1
InChIInChI=1S/C10H12ClN5S/c1-6-7(17-5-13-6)4-16(2)9-3-8(11)14-10(12)15-9/h3,5H,4H2,1-2H3,(H2,12,14,15)
InChIKeyCFFLOVFPLQKRDZ-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.11
Rot. Bonds3

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

6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 78952189) has the molecular formula C10H12ClN5S and a molecular weight of 269.76 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID78952189
Molecular FormulaC10H12ClN5S
Molecular Weight269.76 g/mol
Exact Mass269.05
IUPAC Name6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1ncsc1CN(C)c1cc(Cl)nc(N)n1
InChIInChI=1S/C10H12ClN5S/c1-6-7(17-5-13-6)4-16(2)9-3-8(11)14-10(12)15-9/h3,5H,4H2,1-2H3,(H2,12,14,15)
InChIKeyCFFLOVFPLQKRDZ-UHFFFAOYSA-N
XLogP2.11
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-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-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 78952189) is 6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1ncsc1CN(C)c1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is CFFLOVFPLQKRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5S/c1-6-7(17-5-13-6)4-16(2)9-3-8(11)14-10(12)15-9/h3,5H,4H2,1-2H3,(H2,12,14,15).
What are the key properties of 6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 269.76 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 78952189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).