2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide

C18H25N3O2 — CID 136665160

IUPAC2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide
SMILESO=C(CC1CCCC1)NC1CC(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C18H25N3O2/c22-16(7-11-3-1-2-4-11)19-14-8-13(9-14)15-10-17(23)21-18(20-15)12-5-6-12/h10-14H,1-9H2,(H,19,22)(H,20,21,23)
InChIKeyKAEZWAHHEGDJRU-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.59
Rot. Bonds5

About 2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide

2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide (PubChem CID 136665160) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide
PubChem CID136665160
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide
SMILESO=C(CC1CCCC1)NC1CC(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C18H25N3O2/c22-16(7-11-3-1-2-4-11)19-14-8-13(9-14)15-10-17(23)21-18(20-15)12-5-6-12/h10-14H,1-9H2,(H,19,22)(H,20,21,23)
InChIKeyKAEZWAHHEGDJRU-UHFFFAOYSA-N
XLogP2.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide (CID 136665160) is 2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide is O=C(CC1CCCC1)NC1CC(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide?
The InChIKey is KAEZWAHHEGDJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-16(7-11-3-1-2-4-11)19-14-8-13(9-14)15-10-17(23)21-18(20-15)12-5-6-12/h10-14H,1-9H2,(H,19,22)(H,20,21,23).
What are the key properties of 2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide?
2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide is sourced from PubChem (CID 136665160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).