4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine

C19H19ClN4 — CID 112928418

IUPAC4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)cc2)nc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C19H19ClN4/c1-12-5-4-6-13(2)18(12)24-19-21-14(3)11-17(23-19)22-16-9-7-15(20)8-10-16/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKeyNQPINBMYRUTUKH-UHFFFAOYSA-N
MW338.84 g/mol
LogP5.54
Rot. Bonds4

About 4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine

4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112928418) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112928418
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)cc2)nc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C19H19ClN4/c1-12-5-4-6-13(2)18(12)24-19-21-14(3)11-17(23-19)22-16-9-7-15(20)8-10-16/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKeyNQPINBMYRUTUKH-UHFFFAOYSA-N
XLogP5.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.84
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,6-dimethylphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926803
4-N-(4-bromophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928421
4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932223
2-N-(4-chlorophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929886
4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928420
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927396
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928668
4-N-(4-chlorophenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928718
2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928423
4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929739
N-[3-[[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112929812
N-(4-chlorophenyl)-2,6-dimethylaniline
CID 10977319

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112928418) is 4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(Cl)cc2)nc(Nc2c(C)cccc2C)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is NQPINBMYRUTUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-12-5-4-6-13(2)18(12)24-19-21-14(3)11-17(23-19)22-16-9-7-15(20)8-10-16/h4-11H,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 338.84 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112928418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).