6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine

C16H12Cl3N5 — CID 22544979

IUPAC6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc(Cl)c2)ncnc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl3N5/c17-9-2-1-3-12(5-9)23-15-14(20)16(22-8-21-15)24-13-6-10(18)4-11(19)7-13/h1-8H,20H2,(H2,21,22,23,24)
InChIKeyANWISTUCEMKDKD-UHFFFAOYSA-N
MW380.67 g/mol
LogP5.51
Rot. Bonds4

About 6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine

6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 22544979) has the molecular formula C16H12Cl3N5 and a molecular weight of 380.67 g/mol. Its IUPAC name is 6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
PubChem CID22544979
Molecular FormulaC16H12Cl3N5
Molecular Weight380.67 g/mol
Exact Mass379.02
IUPAC Name6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc(Cl)c2)ncnc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl3N5/c17-9-2-1-3-12(5-9)23-15-14(20)16(22-8-21-15)24-13-6-10(18)4-11(19)7-13/h1-8H,20H2,(H2,21,22,23,24)
InChIKeyANWISTUCEMKDKD-UHFFFAOYSA-N
XLogP5.51
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.67
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835
6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19147078
6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544993
4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136585
6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544983
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19143460
6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19148355
6-N-(4-butylphenyl)-4-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine
CID 22540062
6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544968

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine (CID 22544979) is 6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is ANWISTUCEMKDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N5/c17-9-2-1-3-12(5-9)23-15-14(20)16(22-8-21-15)24-13-6-10(18)4-11(19)7-13/h1-8H,20H2,(H2,21,22,23,24).
What are the key properties of 6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 380.67 g/mol, XLogP of 5.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22544979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).