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

C16H12Cl3N5 — CID 19146835

IUPAC6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc(Cl)c2)ncnc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl3N5/c17-9-3-1-4-10(7-9)23-15-14(20)16(22-8-21-15)24-12-6-2-5-11(18)13(12)19/h1-8H,20H2,(H2,21,22,23,24)
InChIKeyOEJUAEFAGIBENC-UHFFFAOYSA-N
MW380.67 g/mol
LogP5.51
Rot. Bonds4

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

6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 19146835) has the molecular formula C16H12Cl3N5 and a molecular weight of 380.67 g/mol. Its IUPAC name is 6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
PubChem CID19146835
Molecular FormulaC16H12Cl3N5
Molecular Weight380.67 g/mol
Exact Mass379.02
IUPAC Name6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc(Cl)c2)ncnc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl3N5/c17-9-3-1-4-10(7-9)23-15-14(20)16(22-8-21-15)24-12-6-2-5-11(18)13(12)19/h1-8H,20H2,(H2,21,22,23,24)
InChIKeyOEJUAEFAGIBENC-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

6-N-(2,3-dichlorophenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146699
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19146842
6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144885
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547040
6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19147078
4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine
CID 65337053
6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545178
6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544993
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine (CID 19146835) is 6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1cccc(Cl)c1Cl.
What is the InChIKey of 6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is OEJUAEFAGIBENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N5/c17-9-3-1-4-10(7-9)23-15-14(20)16(22-8-21-15)24-12-6-2-5-11(18)13(12)19/h1-8H,20H2,(H2,21,22,23,24).
What are the key properties of 6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine?
6-N-(3-chlorophenyl)-4-N-(2,3-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-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19146835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).