6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

C20H30N4 — CID 25130561

IUPAC6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)CCc1nc(NCc2ccccc2)cc(NCC(C)C)n1
InChIInChI=1S/C20H30N4/c1-15(2)10-11-18-23-19(21-13-16(3)4)12-20(24-18)22-14-17-8-6-5-7-9-17/h5-9,12,15-16H,10-11,13-14H2,1-4H3,(H2,21,22,23,24)
InChIKeyLTJBLPUTSWMOBE-UHFFFAOYSA-N
MW326.49 g/mol
LogP4.75
Rot. Bonds9

About 6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 25130561) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID25130561
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)CCc1nc(NCc2ccccc2)cc(NCC(C)C)n1
InChIInChI=1S/C20H30N4/c1-15(2)10-11-18-23-19(21-13-16(3)4)12-20(24-18)22-14-17-8-6-5-7-9-17/h5-9,12,15-16H,10-11,13-14H2,1-4H3,(H2,21,22,23,24)
InChIKeyLTJBLPUTSWMOBE-UHFFFAOYSA-N
XLogP4.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 25130561) is 6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is CC(C)CCc1nc(NCc2ccccc2)cc(NCC(C)C)n1.
What is the InChIKey of 6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is LTJBLPUTSWMOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-15(2)10-11-18-23-19(21-13-16(3)4)12-20(24-18)22-14-17-8-6-5-7-9-17/h5-9,12,15-16H,10-11,13-14H2,1-4H3,(H2,21,22,23,24).
What are the key properties of 6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 326.49 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2-(3-methylbutyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 25130561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).