2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide

C20H23N3O3 — CID 70737103

IUPAC2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C20H23N3O3/c24-19(15-11-21-18(14-9-10-14)23-20(15)25)22-16-7-4-8-17(16)26-12-13-5-2-1-3-6-13/h1-3,5-6,11,14,16-17H,4,7-10,12H2,(H,22,24)(H,21,23,25)/t16-,17-/m1/s1
InChIKeyHHYJQGXPSUOZNG-IAGOWNOFSA-N
MW353.42 g/mol
LogP2.52
Rot. Bonds6

About 2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide

2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide (PubChem CID 70737103) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide
PubChem CID70737103
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C20H23N3O3/c24-19(15-11-21-18(14-9-10-14)23-20(15)25)22-16-7-4-8-17(16)26-12-13-5-2-1-3-6-13/h1-3,5-6,11,14,16-17H,4,7-10,12H2,(H,22,24)(H,21,23,25)/t16-,17-/m1/s1
InChIKeyHHYJQGXPSUOZNG-IAGOWNOFSA-N
XLogP2.52
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide 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-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide (CID 70737103) is 2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide is O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is HHYJQGXPSUOZNG-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(15-11-21-18(14-9-10-14)23-20(15)25)22-16-7-4-8-17(16)26-12-13-5-2-1-3-6-13/h1-3,5-6,11,14,16-17H,4,7-10,12H2,(H,22,24)(H,21,23,25)/t16-,17-/m1/s1.
What are the key properties of 2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70737103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).