4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one

C18H26N4O3 — CID 136765877

IUPAC4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=C(C1CCCC1)N1CCC(c2cc(=O)[nH]c(N3CCOCC3)n2)C1
InChIInChI=1S/C18H26N4O3/c23-16-11-15(19-18(20-16)21-7-9-25-10-8-21)14-5-6-22(12-14)17(24)13-3-1-2-4-13/h11,13-14H,1-10,12H2,(H,19,20,23)
InChIKeyOFJKWDUOUVLRTM-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.11
Rot. Bonds3

About 4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one

4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 136765877) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID136765877
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=C(C1CCCC1)N1CCC(c2cc(=O)[nH]c(N3CCOCC3)n2)C1
InChIInChI=1S/C18H26N4O3/c23-16-11-15(19-18(20-16)21-7-9-25-10-8-21)14-5-6-22(12-14)17(24)13-3-1-2-4-13/h11,13-14H,1-10,12H2,(H,19,20,23)
InChIKeyOFJKWDUOUVLRTM-UHFFFAOYSA-N
XLogP1.11
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one 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 4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 136765877) is 4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one is O=C(C1CCCC1)N1CCC(c2cc(=O)[nH]c(N3CCOCC3)n2)C1.
What is the InChIKey of 4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is OFJKWDUOUVLRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-16-11-15(19-18(20-16)21-7-9-25-10-8-21)14-5-6-22(12-14)17(24)13-3-1-2-4-13/h11,13-14H,1-10,12H2,(H,19,20,23).
What are the key properties of 4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 346.43 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136765877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).