4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine

C18H16ClN3 — CID 59104281

IUPAC4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccc(C)c(-c3cc(Cl)nc(N)n3)c2)cc1
InChIInChI=1S/C18H16ClN3/c1-11-3-6-13(7-4-11)14-8-5-12(2)15(9-14)16-10-17(19)22-18(20)21-16/h3-10H,1-2H3,(H2,20,21,22)
InChIKeyXESLZSLNEQBBSL-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.66
Rot. Bonds2

About 4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine

4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine (PubChem CID 59104281) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine
PubChem CID59104281
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC Name4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccc(C)c(-c3cc(Cl)nc(N)n3)c2)cc1
InChIInChI=1S/C18H16ClN3/c1-11-3-6-13(7-4-11)14-8-5-12(2)15(9-14)16-10-17(19)22-18(20)21-16/h3-10H,1-2H3,(H2,20,21,22)
InChIKeyXESLZSLNEQBBSL-UHFFFAOYSA-N
XLogP4.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine
CID 141218795
4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine
CID 155169736
azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 87855847
4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine
CID 90189205
4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane
CID 143206145
4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine
CID 24743463
4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine
CID 175606408
2,4-dichloro-6-(4-methylphenyl)pyridine
CID 90948532
4-N-(2-aminoethyl)-6-(2-methyl-5-phenylphenyl)pyrimidine-2,4-diamine;ethylbenzene
CID 142190147
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459
4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine
CID 158483870
4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine
CID 748214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine (CID 59104281) is 4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine is Cc1ccc(-c2ccc(C)c(-c3cc(Cl)nc(N)n3)c2)cc1.
What is the InChIKey of 4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine?
The InChIKey is XESLZSLNEQBBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3/c1-11-3-6-13(7-4-11)14-8-5-12(2)15(9-14)16-10-17(19)22-18(20)21-16/h3-10H,1-2H3,(H2,20,21,22).
What are the key properties of 4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine?
4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine has a molecular weight of 309.80 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 59104281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).