2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

C17H21N3 — CID 79980915

IUPAC2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ccc(C3CC3)cc2)nc1NC
InChIInChI=1S/C17H21N3/c1-4-15-11(2)19-16(20-17(15)18-3)14-9-7-13(8-10-14)12-5-6-12/h7-10,12H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyXGKAWVSZWZQQHS-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (PubChem CID 79980915) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
PubChem CID79980915
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ccc(C3CC3)cc2)nc1NC
InChIInChI=1S/C17H21N3/c1-4-15-11(2)19-16(20-17(15)18-3)14-9-7-13(8-10-14)12-5-6-12/h7-10,12H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyXGKAWVSZWZQQHS-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-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-(4-cyclopropylphenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 79980615
5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 79980128
2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 55191562
2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66481275
[2-(4-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 79980375
5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62191599
5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79972059
N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 62192315
5-ethyl-N,6-dimethyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81143822
2-(2,6-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 55220126
2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66423893
5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 56768154

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (CID 79980915) is 2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is CCc1c(C)nc(-c2ccc(C3CC3)cc2)nc1NC.
What is the InChIKey of 2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The InChIKey is XGKAWVSZWZQQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-4-15-11(2)19-16(20-17(15)18-3)14-9-7-13(8-10-14)12-5-6-12/h7-10,12H,4-6H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 79980915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).