4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine

C17H13Cl2N3 — CID 86045532

IUPAC4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine
SMILESCc1ccccc1-c1c(Cl)nc(Nc2ccccc2)nc1Cl
InChIInChI=1S/C17H13Cl2N3/c1-11-7-5-6-10-13(11)14-15(18)21-17(22-16(14)19)20-12-8-3-2-4-9-12/h2-10H,1H3,(H,20,21,22)
InChIKeyDYADXTLXHHQMFM-UHFFFAOYSA-N
MW330.22 g/mol
LogP5.50
Rot. Bonds3

About 4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine

4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine (PubChem CID 86045532) has the molecular formula C17H13Cl2N3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine
PubChem CID86045532
Molecular FormulaC17H13Cl2N3
Molecular Weight330.22 g/mol
Exact Mass329.05
IUPAC Name4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine
SMILESCc1ccccc1-c1c(Cl)nc(Nc2ccccc2)nc1Cl
InChIInChI=1S/C17H13Cl2N3/c1-11-7-5-6-10-13(11)14-15(18)21-17(22-16(14)19)20-12-8-3-2-4-9-12/h2-10H,1H3,(H,20,21,22)
InChIKeyDYADXTLXHHQMFM-UHFFFAOYSA-N
XLogP5.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.22
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine
CID 86045434
bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane
CID 159104924
2-anilino-4,6-dimethylpyrimidin-5-ol
CID 45097442
3-methyl-2-(2-methylphenyl)-N-phenyl-6-phosphanylaniline
CID 142355856
6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23033168
4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine
CID 79421873
5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 155665811
2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 59798777
7-(5-chloro-2-methylphenyl)-6-methyl-N-phenyl-1,2,4-benzotriazin-3-amine
CID 141186731
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
2-methyl-3-(2-methylphenyl)-N-phenylaniline
CID 145291180
6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 118715065

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine (CID 86045532) is 4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine is Cc1ccccc1-c1c(Cl)nc(Nc2ccccc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine?
The InChIKey is DYADXTLXHHQMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3/c1-11-7-5-6-10-13(11)14-15(18)21-17(22-16(14)19)20-12-8-3-2-4-9-12/h2-10H,1H3,(H,20,21,22).
What are the key properties of 4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine?
4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine has a molecular weight of 330.22 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 86045532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).