2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine

C23H26N4O2 — CID 112933130

IUPAC2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2cc(-c3ccccc3)nc(NC3CC3)n2)cc1OC
InChIInChI=1S/C23H26N4O2/c1-28-20-11-8-16(14-21(20)29-2)12-13-24-22-15-19(17-6-4-3-5-7-17)26-23(27-22)25-18-9-10-18/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H2,24,25,26,27)
InChIKeyQIZVJPWOMMXNQY-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.39
Rot. Bonds9

About 2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine

2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine (PubChem CID 112933130) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
PubChem CID112933130
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2cc(-c3ccccc3)nc(NC3CC3)n2)cc1OC
InChIInChI=1S/C23H26N4O2/c1-28-20-11-8-16(14-21(20)29-2)12-13-24-22-15-19(17-6-4-3-5-7-17)26-23(27-22)25-18-9-10-18/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H2,24,25,26,27)
InChIKeyQIZVJPWOMMXNQY-UHFFFAOYSA-N
XLogP4.39
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-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-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112879467
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935017
2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 112932996
2-N-butan-2-yl-4-N-[(3,4-dimethoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112934019
4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine
CID 112933540
4-N-benzyl-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112889425
4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932545
4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112932921
3-N-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939328
4-N-cyclopropyl-2-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112932935
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937591
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933832

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine (CID 112933130) is 2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine is COc1ccc(CCNc2cc(-c3ccccc3)nc(NC3CC3)n2)cc1OC.
What is the InChIKey of 2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine?
The InChIKey is QIZVJPWOMMXNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-28-20-11-8-16(14-21(20)29-2)12-13-24-22-15-19(17-6-4-3-5-7-17)26-23(27-22)25-18-9-10-18/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine?
2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine has a molecular weight of 390.49 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).