N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C13H18N4O3 — CID 43595251

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC1CCNC2(CCC2)C1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H18N4O3/c18-10-6-9(16-12(20)17-10)11(19)15-8-2-5-14-13(7-8)3-1-4-13/h6,8,14H,1-5,7H2,(H,15,19)(H2,16,17,18,20)
InChIKeySTLLUWZFQDATBH-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.53
Rot. Bonds2

About N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 43595251) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID43595251
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC1CCNC2(CCC2)C1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H18N4O3/c18-10-6-9(16-12(20)17-10)11(19)15-8-2-5-14-13(7-8)3-1-4-13/h6,8,14H,1-5,7H2,(H,15,19)(H2,16,17,18,20)
InChIKeySTLLUWZFQDATBH-UHFFFAOYSA-N
XLogP-0.53
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethyl-4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 6618800
N-(2,4-dihydroxypyrimidin-5-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
CID 42535181
2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide
CID 43345784
6-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43556193
N-(5-azaspiro[3.5]nonan-8-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43595136
N-(1-azaspiro[5.5]undecan-4-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43595641
N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide
CID 43602147
6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 51386615
6-[(2R)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 51386617
6-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 55176062
2,6-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 56711486
N-{(1S*,2R*)-2-[(1-ethyl-4-piperidinyl)amino]cyclobutyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide
CID 56884725

Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 43595251) is N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NC1CCNC2(CCC2)C1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is STLLUWZFQDATBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-10-6-9(16-12(20)17-10)11(19)15-8-2-5-14-13(7-8)3-1-4-13/h6,8,14H,1-5,7H2,(H,15,19)(H2,16,17,18,20).
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.53, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 43595251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).