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

C19H20N4 — CID 721060

IUPAC2-N-benzyl-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4/c1-14-8-10-17(11-9-14)22-18-12-15(2)21-19(23-18)20-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyVFSDCNHNLSFZJR-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.45
Rot. Bonds5

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

2-N-benzyl-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 721060) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID721060
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name2-N-benzyl-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4/c1-14-8-10-17(11-9-14)22-18-12-15(2)21-19(23-18)20-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyVFSDCNHNLSFZJR-UHFFFAOYSA-N
XLogP4.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 721060) is 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)cc1.
What is the InChIKey of 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is VFSDCNHNLSFZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-14-8-10-17(11-9-14)22-18-12-15(2)21-19(23-18)20-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
2-N-benzyl-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 304.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 721060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).