5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one

C18H29N5O2 — CID 56742402

IUPAC5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)c(=O)[nH]1
InChIInChI=1S/C18H29N5O2/c1-13(2)15-19-11-14(16(24)20-15)17(25)23-10-9-22(4)18(12-23)5-7-21(3)8-6-18/h11,13H,5-10,12H2,1-4H3,(H,19,20,24)
InChIKeyUYTAZCVEGAKIEC-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.75
Rot. Bonds2

About 5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one

5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 56742402) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID56742402
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)c(=O)[nH]1
InChIInChI=1S/C18H29N5O2/c1-13(2)15-19-11-14(16(24)20-15)17(25)23-10-9-22(4)18(12-23)5-7-21(3)8-6-18/h11,13H,5-10,12H2,1-4H3,(H,19,20,24)
InChIKeyUYTAZCVEGAKIEC-UHFFFAOYSA-N
XLogP0.75
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
CID 154891284
2-propan-2-yl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554073
(2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone
CID 56758942
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56744449
5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 56860945
(1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 126839749
5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
CID 92648681
4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione
CID 56756430
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone
CID 56752988
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 56756865
10-(cyclopropylmethyl)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72898045
1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72941343

Frequently Asked Questions

What is the IUPAC name of 5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 56742402) is 5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1ncc(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)c(=O)[nH]1.
What is the InChIKey of 5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is UYTAZCVEGAKIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13(2)15-19-11-14(16(24)20-15)17(25)23-10-9-22(4)18(12-23)5-7-21(3)8-6-18/h11,13H,5-10,12H2,1-4H3,(H,19,20,24).
What are the key properties of 5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 347.46 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 56742402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).