2-N-benzyl-4-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine

C23H28N4 — CID 25132598

IUPAC2-N-benzyl-4-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(CCc2ccccc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C23H28N4/c1-18(2)16-24-22-15-21(14-13-19-9-5-3-6-10-19)26-23(27-22)25-17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3,(H2,24,25,26,27)
InChIKeyNZSOCGCVTLRCCI-UHFFFAOYSA-N
MW360.51 g/mol
LogP4.94
Rot. Bonds9

About 2-N-benzyl-4-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine

2-N-benzyl-4-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 25132598) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID25132598
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Name2-N-benzyl-4-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(CCc2ccccc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C23H28N4/c1-18(2)16-24-22-15-21(14-13-19-9-5-3-6-10-19)26-23(27-22)25-17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3,(H2,24,25,26,27)
InChIKeyNZSOCGCVTLRCCI-UHFFFAOYSA-N
XLogP4.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.94
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-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine (CID 25132598) is 2-N-benzyl-4-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine is CC(C)CNc1cc(CCc2ccccc2)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is NZSOCGCVTLRCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-18(2)16-24-22-15-21(14-13-19-9-5-3-6-10-19)26-23(27-22)25-17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 2-N-benzyl-4-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine?
2-N-benzyl-4-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 360.51 g/mol, XLogP of 4.94, 9 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-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25132598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).