2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine

C17H21N3O — CID 80966037

IUPAC2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccccc2C)nc(C2CC2)n1
InChIInChI=1S/C17H21N3O/c1-3-10-18-15-11-16(20-17(19-15)13-8-9-13)21-14-7-5-4-6-12(14)2/h4-7,11,13H,3,8-10H2,1-2H3,(H,18,19,20)
InChIKeyLGOWLEOIYMSGCL-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.28
Rot. Bonds6

About 2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine

2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine (PubChem CID 80966037) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
PubChem CID80966037
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccccc2C)nc(C2CC2)n1
InChIInChI=1S/C17H21N3O/c1-3-10-18-15-11-16(20-17(19-15)13-8-9-13)21-14-7-5-4-6-12(14)2/h4-7,11,13H,3,8-10H2,1-2H3,(H,18,19,20)
InChIKeyLGOWLEOIYMSGCL-UHFFFAOYSA-N
XLogP4.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-6-(2-methylphenoxy)-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-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254
2-cyclopropyl-N-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 102988946
6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80966029
2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 80949383
6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965500
2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
CID 106598687
2-cyclopropyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80963301
2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
6-(2,3-dimethylphenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938683
2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine
CID 102989022
6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80864444
2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine
CID 107662786

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine (CID 80966037) is 2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ccccc2C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine?
The InChIKey is LGOWLEOIYMSGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-10-18-15-11-16(20-17(19-15)13-8-9-13)21-14-7-5-4-6-12(14)2/h4-7,11,13H,3,8-10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine?
2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine has a molecular weight of 283.37 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80966037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).