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

C16H20N4 — CID 112879169

IUPAC4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N4/c1-2-10-17-14-11-15(18-13-8-9-13)20-16(19-14)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3,(H2,17,18,19,20)
InChIKeyZOABEWGHHNCMDW-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.54
Rot. Bonds6

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

4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 112879169) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID112879169
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N4/c1-2-10-17-14-11-15(18-13-8-9-13)20-16(19-14)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3,(H2,17,18,19,20)
InChIKeyZOABEWGHHNCMDW-UHFFFAOYSA-N
XLogP3.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclopropyl-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-cyclopentyl-6-N-(3-methylbutyl)-2-phenylpyrimidine-4,6-diamine
CID 112880067
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112879467
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
6-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropyl-2-phenylpyrimidine-4,6-diamine
CID 112879476
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879173
4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879514
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
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine (CID 112879169) is 4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZOABEWGHHNCMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-10-17-14-11-15(18-13-8-9-13)20-16(19-14)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).