2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one

C15H21N3O2 — CID 136816576

IUPAC2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(C2CCCN2C(=O)C2CC2)n1
InChIInChI=1S/C15H21N3O2/c1-9(2)11-8-13(19)17-14(16-11)12-4-3-7-18(12)15(20)10-5-6-10/h8-10,12H,3-7H2,1-2H3,(H,16,17,19)
InChIKeyFUMANUIOXOSGJW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.97
Rot. Bonds3

About 2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one

2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136816576) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136816576
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(C2CCCN2C(=O)C2CC2)n1
InChIInChI=1S/C15H21N3O2/c1-9(2)11-8-13(19)17-14(16-11)12-4-3-7-18(12)15(20)10-5-6-10/h8-10,12H,3-7H2,1-2H3,(H,16,17,19)
InChIKeyFUMANUIOXOSGJW-UHFFFAOYSA-N
XLogP1.97
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-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 2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one (CID 136816576) is 2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(C2CCCN2C(=O)C2CC2)n1.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FUMANUIOXOSGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9(2)11-8-13(19)17-14(16-11)12-4-3-7-18(12)15(20)10-5-6-10/h8-10,12H,3-7H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 275.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136816576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).