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

C17H16ClN5 — CID 19148236

IUPAC6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)c1
InChIInChI=1S/C17H16ClN5/c1-11-3-2-4-14(9-11)23-17-15(19)16(20-10-21-17)22-13-7-5-12(18)6-8-13/h2-10H,19H2,1H3,(H2,20,21,22,23)
InChIKeyJBIHTPOCFLXXAG-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.51
Rot. Bonds4

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

6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19148236) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is 6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID19148236
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC Name6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)c1
InChIInChI=1S/C17H16ClN5/c1-11-3-2-4-14(9-11)23-17-15(19)16(20-10-21-17)22-13-7-5-12(18)6-8-13/h2-10H,19H2,1H3,(H2,20,21,22,23)
InChIKeyJBIHTPOCFLXXAG-UHFFFAOYSA-N
XLogP4.51
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.51
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-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22540995
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147077
acetylene;6-chloro-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 142993577
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
1-[4-[[5-amino-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 19148242
4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 71095075
5-chloro-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 79021710
6-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 63735421
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148297
6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148280
N-[4-(4-chlorophenyl)phenyl]-3-methylaniline
CID 16755340

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (CID 19148236) is 6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)c1.
What is the InChIKey of 6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is JBIHTPOCFLXXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-11-3-2-4-14(9-11)23-17-15(19)16(20-10-21-17)22-13-7-5-12(18)6-8-13/h2-10H,19H2,1H3,(H2,20,21,22,23).
What are the key properties of 6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 325.80 g/mol, XLogP of 4.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19148236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).