6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine

C13H11ClN6S — CID 19147555

IUPAC6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(Cl)cc2)ncnc1Nc1nccs1
InChIInChI=1S/C13H11ClN6S/c14-8-1-3-9(4-2-8)19-11-10(15)12(18-7-17-11)20-13-16-5-6-21-13/h1-7H,15H2,(H2,16,17,18,19,20)
InChIKeyHRWLSHHKPQMNAA-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.66
Rot. Bonds4

About 6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine

6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 19147555) has the molecular formula C13H11ClN6S and a molecular weight of 318.79 g/mol. Its IUPAC name is 6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
PubChem CID19147555
Molecular FormulaC13H11ClN6S
Molecular Weight318.79 g/mol
Exact Mass318.05
IUPAC Name6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(Cl)cc2)ncnc1Nc1nccs1
InChIInChI=1S/C13H11ClN6S/c14-8-1-3-9(4-2-8)19-11-10(15)12(18-7-17-11)20-13-16-5-6-21-13/h1-7H,15H2,(H2,16,17,18,19,20)
InChIKeyHRWLSHHKPQMNAA-UHFFFAOYSA-N
XLogP3.66
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (CID 19147555) is 6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1nccs1.
What is the InChIKey of 6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is HRWLSHHKPQMNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6S/c14-8-1-3-9(4-2-8)19-11-10(15)12(18-7-17-11)20-13-16-5-6-21-13/h1-7H,15H2,(H2,16,17,18,19,20).
What are the key properties of 6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 318.79 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19147555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).