1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one

C16H22N4O3 — CID 162637933

IUPAC1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)c2cnc[nH]c2=O)C1=O
InChIInChI=1S/C16H22N4O3/c1-2-7-19-8-3-5-16(15(19)23)6-4-9-20(16)14(22)12-10-17-11-18-13(12)21/h10-11H,2-9H2,1H3,(H,17,18,21)
InChIKeyNTTASZRDJRXGKS-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.78
Rot. Bonds3

About 1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one

1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162637933) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162637933
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)c2cnc[nH]c2=O)C1=O
InChIInChI=1S/C16H22N4O3/c1-2-7-19-8-3-5-16(15(19)23)6-4-9-20(16)14(22)12-10-17-11-18-13(12)21/h10-11H,2-9H2,1H3,(H,17,18,21)
InChIKeyNTTASZRDJRXGKS-UHFFFAOYSA-N
XLogP0.78
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 56891064
1-Methyl-4-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72866658
N-{(3R,5S)-5-[(diethylamino)carbonyl]-1-isobutylpyrrolidin-3-yl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 72928562
(6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97122087
(6R)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97122088
7-(2-Methoxyethyl)-1-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1,7-diazaspiro[4.5]decan-6-one
CID 162626437
9-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628733

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one (CID 162637933) is 1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one is CCCN1CCCC2(CCCN2C(=O)c2cnc[nH]c2=O)C1=O.
What is the InChIKey of 1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is NTTASZRDJRXGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-2-7-19-8-3-5-16(15(19)23)6-4-9-20(16)14(22)12-10-17-11-18-13(12)21/h10-11H,2-9H2,1H3,(H,17,18,21).
What are the key properties of 1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 318.38 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrimidine-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162637933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).