6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine

C19H20N4 — CID 112927319

IUPAC6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H20N4/c1-13-4-8-16(9-5-13)21-18-12-15(3)20-19(23-18)22-17-10-6-14(2)7-11-17/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKeyHUJGNXWOJBZCKX-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.89
Rot. Bonds4

About 6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine

6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112927319) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112927319
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H20N4/c1-13-4-8-16(9-5-13)21-18-12-15(3)20-19(23-18)22-17-10-6-14(2)7-11-17/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKeyHUJGNXWOJBZCKX-UHFFFAOYSA-N
XLogP4.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927325
6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157
2-N-(3,4-dimethoxyphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927358
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927396
2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927378
1-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]-3-phenylurea
CID 18566756
2-N,4-N-bis[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112931685
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
2-N-(5-chloro-2-methylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927340
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 122296060
1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 108777581
4-N-(3-chloro-2-methylphenyl)-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927418

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine (CID 112927319) is 6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2cc(C)nc(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is HUJGNXWOJBZCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-13-4-8-16(9-5-13)21-18-12-15(3)20-19(23-18)22-17-10-6-14(2)7-11-17/h4-12H,1-3H3,(H2,20,21,22,23).
What are the key properties of 6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine?
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 304.40 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112927319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).