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

C18H29ClN4O2 — CID 154891284

IUPAC5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
SMILESCC(C)c1ncc(C(=O)N2CCCC3(CCNCC3)CC2)c(=O)[nH]1.Cl
InChIInChI=1S/C18H28N4O2.ClH/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);1H
InChIKeyDKBVCUOIAXICGC-UHFFFAOYSA-N
MW368.91 g/mol
LogP2.31
Rot. Bonds2

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

5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 154891284) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
PubChem CID154891284
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
SMILESCC(C)c1ncc(C(=O)N2CCCC3(CCNCC3)CC2)c(=O)[nH]1.Cl
InChIInChI=1S/C18H28N4O2.ClH/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);1H
InChIKeyDKBVCUOIAXICGC-UHFFFAOYSA-N
XLogP2.31
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 52.31
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;hydrochloride with MolForge

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Related Compounds

5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 56742402
2-propan-2-yl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554073
6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
CID 154885799
5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 56860945
5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one
CID 70768057
(5-chloro-2-fluorophenyl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 117044862
(4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 56875311
(2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone
CID 56716908
8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone
CID 63161313
(1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 82510734
3,9-diazaspiro[5.6]dodecan-9-yl-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride
CID 154907919
2-phenyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 92648674

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;hydrochloride?
The IUPAC name of 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride (CID 154891284) is 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride is CC(C)c1ncc(C(=O)N2CCCC3(CCNCC3)CC2)c(=O)[nH]1.Cl.
What is the InChIKey of 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is DKBVCUOIAXICGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.ClH/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);1H.
What are the key properties of 5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride?
5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 2.31, 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;hydrochloride is sourced from PubChem (CID 154891284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).