9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C13H17N5O3 — CID 77080948

IUPAC9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(=O)N2CCCC3(CNC(=O)O3)C2)nc(N)n1
InChIInChI=1S/C13H17N5O3/c1-8-5-9(17-11(14)16-8)10(19)18-4-2-3-13(7-18)6-15-12(20)21-13/h5H,2-4,6-7H2,1H3,(H,15,20)(H2,14,16,17)
InChIKeyPQGCAZUYZZVNIV-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.08
Rot. Bonds1

About 9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 77080948) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID77080948
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(=O)N2CCCC3(CNC(=O)O3)C2)nc(N)n1
InChIInChI=1S/C13H17N5O3/c1-8-5-9(17-11(14)16-8)10(19)18-4-2-3-13(7-18)6-15-12(20)21-13/h5H,2-4,6-7H2,1H3,(H,15,20)(H2,14,16,17)
InChIKeyPQGCAZUYZZVNIV-UHFFFAOYSA-N
XLogP0.08
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99928590
(5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95716220
(2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114220466
9-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77095524
9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56882347
(5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95719140
(5R)-9-(2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95714799
9-[2-(hydroxymethyl)-3H-benzimidazole-5-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56908215
9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56918533
9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 155508952
(5R)-9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95720663
9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56906703

Frequently Asked Questions

What is the IUPAC name of 9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 77080948) is 9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1cc(C(=O)N2CCCC3(CNC(=O)O3)C2)nc(N)n1.
What is the InChIKey of 9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is PQGCAZUYZZVNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-8-5-9(17-11(14)16-8)10(19)18-4-2-3-13(7-18)6-15-12(20)21-13/h5H,2-4,6-7H2,1H3,(H,15,20)(H2,14,16,17).
What are the key properties of 9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 291.31 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 77080948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).