2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one

C17H24N4O4 — CID 155957271

IUPAC2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CCC2)[nH]c1=O)N1CCOCC2(COCCN2)C1
InChIInChI=1S/C17H24N4O4/c22-15-13(8-18-14(20-15)12-2-1-3-12)16(23)21-5-7-25-11-17(9-21)10-24-6-4-19-17/h8,12,19H,1-7,9-11H2,(H,18,20,22)
InChIKeyAFCGPGFTPPWKMK-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.13
Rot. Bonds2

About 2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one

2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one (PubChem CID 155957271) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one
PubChem CID155957271
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CCC2)[nH]c1=O)N1CCOCC2(COCCN2)C1
InChIInChI=1S/C17H24N4O4/c22-15-13(8-18-14(20-15)12-2-1-3-12)16(23)21-5-7-25-11-17(9-21)10-24-6-4-19-17/h8,12,19H,1-7,9-11H2,(H,18,20,22)
InChIKeyAFCGPGFTPPWKMK-UHFFFAOYSA-N
XLogP-0.13
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
CID 97142633
2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one
CID 135117997
5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 126435275
2-cyclopropyl-5-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 70786368
2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 74242568
2-cyclopropyl-5-(9-imino-9-oxo-9λ6-thia-1-azaspiro[4.5]decane-1-carbonyl)-1H-pyrimidin-6-one
CID 155956781
ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
CID 56908194
(3S,4S)-1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
CID 86282963
N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 70747856
N-cyclohexyl-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 166253059
2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 65390526
morpholin-4-yl-[5-[(3R)-piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 98041423

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one (CID 155957271) is 2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one is O=C(c1cnc(C2CCC2)[nH]c1=O)N1CCOCC2(COCCN2)C1.
What is the InChIKey of 2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is AFCGPGFTPPWKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c22-15-13(8-18-14(20-15)12-2-1-3-12)16(23)21-5-7-25-11-17(9-21)10-24-6-4-19-17/h8,12,19H,1-7,9-11H2,(H,18,20,22).
What are the key properties of 2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one?
2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 348.40 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 155957271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).