2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine

C18H18N4 — CID 112876865

IUPAC2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(Nc3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C18H18N4/c1-13-8-10-16(11-9-13)22-18-12-17(19-14(2)20-18)21-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,19,20,21,22)
InChIKeyNMYLCWAGFXBNLK-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.58
Rot. Bonds4

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

2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine (PubChem CID 112876865) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
PubChem CID112876865
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(Nc3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C18H18N4/c1-13-8-10-16(11-9-13)22-18-12-17(19-14(2)20-18)21-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,19,20,21,22)
InChIKeyNMYLCWAGFXBNLK-UHFFFAOYSA-N
XLogP4.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876895
2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112871962
4-N-(3,4-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876939
2-methyl-4-N-(4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873723
4-N-tert-butyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112875910
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 50748504
2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid
CID 82293663
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876874
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
2-chloro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 46268011
6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine
CID 154882747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine (CID 112876865) is 2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine is Cc1ccc(Nc2cc(Nc3ccccc3)nc(C)n2)cc1.
What is the InChIKey of 2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine?
The InChIKey is NMYLCWAGFXBNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-13-8-10-16(11-9-13)22-18-12-17(19-14(2)20-18)21-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine?
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine has a molecular weight of 290.37 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112876865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).