6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine

C15H12Cl2N6 — CID 19147078

IUPAC6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc(Cl)c2)ncnc1Nc1ccc(Cl)cn1
InChIInChI=1S/C15H12Cl2N6/c16-9-2-1-3-11(6-9)22-14-13(18)15(21-8-20-14)23-12-5-4-10(17)7-19-12/h1-8H,18H2,(H2,19,20,21,22,23)
InChIKeyDIFYSGLBLLESMT-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.25
Rot. Bonds4

About 6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine

6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine (PubChem CID 19147078) has the molecular formula C15H12Cl2N6 and a molecular weight of 347.21 g/mol. Its IUPAC name is 6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
PubChem CID19147078
Molecular FormulaC15H12Cl2N6
Molecular Weight347.21 g/mol
Exact Mass346.05
IUPAC Name6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc(Cl)c2)ncnc1Nc1ccc(Cl)cn1
InChIInChI=1S/C15H12Cl2N6/c16-9-2-1-3-11(6-9)22-14-13(18)15(21-8-20-14)23-12-5-4-10(17)7-19-12/h1-8H,18H2,(H2,19,20,21,22,23)
InChIKeyDIFYSGLBLLESMT-UHFFFAOYSA-N
XLogP4.25
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147077
6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544968
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543893
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-N-(5-chloro-2-pyridinyl)-6-N-(4-iodophenyl)pyrimidine-4,5,6-triamine
CID 19147083
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835
4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136585
4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540285
6-N-(5-chloro-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144597

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine (CID 19147078) is 6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1ccc(Cl)cn1.
What is the InChIKey of 6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine?
The InChIKey is DIFYSGLBLLESMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N6/c16-9-2-1-3-11(6-9)22-14-13(18)15(21-8-20-14)23-12-5-4-10(17)7-19-12/h1-8H,18H2,(H2,19,20,21,22,23).
What are the key properties of 6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine?
6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine has a molecular weight of 347.21 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19147078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).