1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C14H18N4O3 — CID 72848122

IUPAC1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(c1ncccn1)CC2
InChIInChI=1S/C14H18N4O3/c1-17-11(19)9-10(12(20)21)14(17)3-7-18(8-4-14)13-15-5-2-6-16-13/h2,5-6,10H,3-4,7-9H2,1H3,(H,20,21)
InChIKeyFNFQZEYDWQTZGI-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.38
Rot. Bonds2

About 1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72848122) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72848122
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(c1ncccn1)CC2
InChIInChI=1S/C14H18N4O3/c1-17-11(19)9-10(12(20)21)14(17)3-7-18(8-4-14)13-15-5-2-6-16-13/h2,5-6,10H,3-4,7-9H2,1H3,(H,20,21)
InChIKeyFNFQZEYDWQTZGI-UHFFFAOYSA-N
XLogP0.38
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 4736951
2-Acetyl-8-(2-pyrimidinylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72890690
1-Methyl-2-oxo-8-(2-pyrimidinylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72926052
(4S)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204992
8-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72876461
(4S)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97195439
(4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97195440
2-[(3aR,7S,7aS)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155827312
2-Ethyl-4-(methoxymethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155837930
Cyclopentyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155847939
Methyl 5-oxo-5-{3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidinyl}pentanoate
CID 45209479
Methyl 4-oxo-4-{3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidinyl}butanoate
CID 45232321

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72848122) is 1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(c1ncccn1)CC2.
What is the InChIKey of 1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is FNFQZEYDWQTZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-17-11(19)9-10(12(20)21)14(17)3-7-18(8-4-14)13-15-5-2-6-16-13/h2,5-6,10H,3-4,7-9H2,1H3,(H,20,21).
What are the key properties of 1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72848122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).