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

C13H18N4O3 — CID 43595125

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCNC2(CCC2)C1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H18N4O3/c18-10(9-7-14-12(20)17-11(9)19)16-8-2-5-15-13(6-8)3-1-4-13/h7-8,15H,1-6H2,(H,16,18)(H2,14,17,19,20)
InChIKeyAHPTUTPAAITBQJ-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-5-carboxamide

N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 43595125) 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-5-carboxamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID43595125
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCNC2(CCC2)C1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H18N4O3/c18-10(9-7-14-12(20)17-11(9)19)16-8-2-5-15-13(6-8)3-1-4-13/h7-8,15H,1-6H2,(H,16,18)(H2,14,17,19,20)
InChIKeyAHPTUTPAAITBQJ-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

2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
CID 43345771
5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43556272
N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
CID 43602104
N-methyl-2,4-dioxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 56896504
2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-5-carboxamide
CID 60805577
N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
CID 60805896
5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 60978418
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61237005
2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 61780290
5-[4-(aminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 61787099
5-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 61788697
2,4-dioxo-N-(piperidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 61791900

Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 43595125) is N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NC1CCNC2(CCC2)C1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is AHPTUTPAAITBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-10(9-7-14-12(20)17-11(9)19)16-8-2-5-15-13(6-8)3-1-4-13/h7-8,15H,1-6H2,(H,16,18)(H2,14,17,19,20).
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-5-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-5-carboxamide is sourced from PubChem (CID 43595125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).