5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one

C18H28N4O2 — CID 56720872

IUPAC5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCCC3(CCNCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C18H28N4O2/c1-13(2)15-20-12-14(16(23)21-15)17(24)22-10-3-4-18(7-11-22)5-8-19-9-6-18/h12-13,19H,3-11H2,1-2H3,(H,20,21,23)
InChIKeyFRNUKVPIMKGKNS-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.89
Rot. Bonds2

About 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one

5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 56720872) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID56720872
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCCC3(CCNCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C18H28N4O2/c1-13(2)15-20-12-14(16(23)21-15)17(24)22-10-3-4-18(7-11-22)5-8-19-9-6-18/h12-13,19H,3-11H2,1-2H3,(H,20,21,23)
InChIKeyFRNUKVPIMKGKNS-UHFFFAOYSA-N
XLogP1.89
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[(2-Isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 56751707
5-[(3-methyl-3,9-diazaspiro[5.6]dodec-9-yl)carbonyl]-2-(methylthio)pyrimidin-4(3H)-one
CID 56740346
2-Tert-butyl-N-(cyclohexylmethyl)-4-hydroxypyrimidine-5-carboxamide
CID 70717162
5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 70752567
2-cyclopropyl-5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-4(3H)-pyrimidinone
CID 70777499
4-[(2-Cyclopropyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72878666
2-[(2-Cyclopropyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
CID 72910811
2-Ethyl-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72918710
(5R)-7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95208270
(5S)-7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95208271
5-[4-[(1R)-1-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 96398272
5-[4-[(1S)-1-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 96398273

Frequently Asked Questions

What is the IUPAC name of 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 56720872) is 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1ncc(C(=O)N2CCCC3(CCNCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FRNUKVPIMKGKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)15-20-12-14(16(23)21-15)17(24)22-10-3-4-18(7-11-22)5-8-19-9-6-18/h12-13,19H,3-11H2,1-2H3,(H,20,21,23).
What are the key properties of 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 332.45 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 56720872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).