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

C20H22N4 — CID 697227

IUPAC2-N-benzyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)c(C)c1
InChIInChI=1S/C20H22N4/c1-14-9-10-18(15(2)11-14)23-19-12-16(3)22-20(24-19)21-13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H2,21,22,23,24)
InChIKeyVIRZRROCTSPOES-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.76
Rot. Bonds5

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

2-N-benzyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 697227) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID697227
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-N-benzyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)c(C)c1
InChIInChI=1S/C20H22N4/c1-14-9-10-18(15(2)11-14)23-19-12-16(3)22-20(24-19)21-13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H2,21,22,23,24)
InChIKeyVIRZRROCTSPOES-UHFFFAOYSA-N
XLogP4.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (CID 697227) is 2-N-benzyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is Cc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)c(C)c1.
What is the InChIKey of 2-N-benzyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is VIRZRROCTSPOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-14-9-10-18(15(2)11-14)23-19-12-16(3)22-20(24-19)21-13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 2-N-benzyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 697227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).