2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine

C17H22N4 — CID 80793240

IUPAC2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CC2c2ccccc2)nc(C)n1
InChIInChI=1S/C17H22N4/c1-3-9-18-16-11-17(20-12(2)19-16)21-15-10-14(15)13-7-5-4-6-8-13/h4-8,11,14-15H,3,9-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyCUGBJTHCCKRPOE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.57
Rot. Bonds6

About 2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine

2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80793240) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80793240
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CC2c2ccccc2)nc(C)n1
InChIInChI=1S/C17H22N4/c1-3-9-18-16-11-17(20-12(2)19-16)21-15-10-14(15)13-7-5-4-6-8-13/h4-8,11,14-15H,3,9-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyCUGBJTHCCKRPOE-UHFFFAOYSA-N
XLogP3.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-N-(2-phenylcyclopropyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine (CID 80793240) is 2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC2CC2c2ccccc2)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is CUGBJTHCCKRPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-9-18-16-11-17(20-12(2)19-16)21-15-10-14(15)13-7-5-4-6-8-13/h4-8,11,14-15H,3,9-10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine?
2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-phenylcyclopropyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80793240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).