4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine

C20H22N4 — CID 112879191

IUPAC4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-2-13-21-18-14-19(22-15-16-9-5-3-6-10-16)24-20(23-18)17-11-7-4-8-12-17/h3-12,14H,2,13,15H2,1H3,(H2,21,22,23,24)
InChIKeySJPBXUYGJKEKJD-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.58
Rot. Bonds7

About 4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine

4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 112879191) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID112879191
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-2-13-21-18-14-19(22-15-16-9-5-3-6-10-16)24-20(23-18)17-11-7-4-8-12-17/h3-12,14H,2,13,15H2,1H3,(H2,21,22,23,24)
InChIKeySJPBXUYGJKEKJD-UHFFFAOYSA-N
XLogP4.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-benzyl-2-phenyl-6-N-propylpyrimidine-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

Related Compounds

4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112879729
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879209
4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879173
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879241
2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 115915242
6-N-[2-(dimethylamino)ethyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112880717
4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230
6-N-butyl-4-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112879734

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine (CID 112879191) is 4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is SJPBXUYGJKEKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-2-13-21-18-14-19(22-15-16-9-5-3-6-10-16)24-20(23-18)17-11-7-4-8-12-17/h3-12,14H,2,13,15H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).