2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine

C19H20N4 — CID 112915689

IUPAC2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2cc(C)nc(NCc3ccccc3)n2)c1
InChIInChI=1S/C19H20N4/c1-14-7-6-10-17(11-14)22-18-12-15(2)21-19(23-18)20-13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyPAKRLBWMVTVZAY-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.45
Rot. Bonds5

About 2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine

2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112915689) 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-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112915689
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2cc(C)nc(NCc3ccccc3)n2)c1
InChIInChI=1S/C19H20N4/c1-14-7-6-10-17(11-14)22-18-12-15(2)21-19(23-18)20-13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyPAKRLBWMVTVZAY-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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Related Compounds

6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924413
N-[3-[[2-(benzylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112915733
3-[[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113194427
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112924762
4-N-(3-methoxyphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916560
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919933
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112913671
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916211
2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112915708

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112915689) is 2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine is Cc1cccc(Nc2cc(C)nc(NCc3ccccc3)n2)c1.
What is the InChIKey of 2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is PAKRLBWMVTVZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-14-7-6-10-17(11-14)22-18-12-15(2)21-19(23-18)20-13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
2-N-benzyl-6-methyl-4-N-(3-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-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112915689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).