1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine

C20H26N4O — CID 16673925

IUPAC1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine
SMILESCOc1ccc(C2(NCc3cnc(N4CCCCC4)nc3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-25-18-7-5-17(6-8-18)20(9-10-20)23-15-16-13-21-19(22-14-16)24-11-3-2-4-12-24/h5-8,13-14,23H,2-4,9-12,15H2,1H3
InChIKeyOGJQYPJQBAQQKN-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.25
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine

1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine (PubChem CID 16673925) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine
PubChem CID16673925
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine
SMILESCOc1ccc(C2(NCc3cnc(N4CCCCC4)nc3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-25-18-7-5-17(6-8-18)20(9-10-20)23-15-16-13-21-19(22-14-16)24-11-3-2-4-12-24/h5-8,13-14,23H,2-4,9-12,15H2,1H3
InChIKeyOGJQYPJQBAQQKN-UHFFFAOYSA-N
XLogP3.25
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine 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 1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine (CID 16673925) is 1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine is COc1ccc(C2(NCc3cnc(N4CCCCC4)nc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine?
The InChIKey is OGJQYPJQBAQQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-25-18-7-5-17(6-8-18)20(9-10-20)23-15-16-13-21-19(22-14-16)24-11-3-2-4-12-24/h5-8,13-14,23H,2-4,9-12,15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine?
1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine has a molecular weight of 338.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 16673925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).