2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine

C18H23N3 — CID 80949383

IUPAC2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cccc(C)c2C)nc(C2CC2)n1
InChIInChI=1S/C18H23N3/c1-4-10-19-17-11-16(20-18(21-17)14-8-9-14)15-7-5-6-12(2)13(15)3/h5-7,11,14H,4,8-10H2,1-3H3,(H,19,20,21)
InChIKeyCOWRALIHQWABBY-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.46
Rot. Bonds5

About 2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine

2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine (PubChem CID 80949383) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine
PubChem CID80949383
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cccc(C)c2C)nc(C2CC2)n1
InChIInChI=1S/C18H23N3/c1-4-10-19-17-11-16(20-18(21-17)14-8-9-14)15-7-5-6-12(2)13(15)3/h5-7,11,14H,4,8-10H2,1-3H3,(H,19,20,21)
InChIKeyCOWRALIHQWABBY-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine 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

2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
CID 80949471
2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80952552
6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 63354580
2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838352
2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80966037
2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 80948713
2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952104
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80956506
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 80949016

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine (CID 80949383) is 2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2cccc(C)c2C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is COWRALIHQWABBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-4-10-19-17-11-16(20-18(21-17)14-8-9-14)15-7-5-6-12(2)13(15)3/h5-7,11,14H,4,8-10H2,1-3H3,(H,19,20,21).
What are the key properties of 2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine?
2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80949383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).