4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one

C19H30N4O2 — CID 56704974

IUPAC4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCCC3(CCNCC3)CC2)nc(=O)[nH]1
InChIInChI=1S/C19H30N4O2/c1-14(2)12-15-13-16(22-18(25)21-15)17(24)23-10-3-4-19(7-11-23)5-8-20-9-6-19/h13-14,20H,3-12H2,1-2H3,(H,21,22,25)
InChIKeyCRZDNFYWCQOPIS-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.96
Rot. Bonds3

About 4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one

4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one (PubChem CID 56704974) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one
PubChem CID56704974
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCCC3(CCNCC3)CC2)nc(=O)[nH]1
InChIInChI=1S/C19H30N4O2/c1-14(2)12-15-13-16(22-18(25)21-15)17(24)23-10-3-4-19(7-11-23)5-8-20-9-6-19/h13-14,20H,3-12H2,1-2H3,(H,21,22,25)
InChIKeyCRZDNFYWCQOPIS-UHFFFAOYSA-N
XLogP1.96
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one with MolForge

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Related Compounds

6-tert-butyl-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 99970992
4-tert-butyl-6-{[(1S*,5R*)-3-methyl-3,6-diazabicyclo[3.2.2]non-6-yl]carbonyl}-2(1H)-pyrimidinone
CID 133111368
[(2E)-2-[2-amino-2-(2-fluoro-4-piperidin-1-ylcyclohexyl)ethylidene]-6-ethyl-1H-pyrimidin-4-yl]-[(2R)-2-methylazepan-1-yl]methanone
CID 145178597
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isopropylpiperidine-4-carboxamide
CID 50956693
8-[(6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinyl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70721542
6-tert-butyl-4-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]-1H-pyrimidin-2-one
CID 70743465
4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 72882217
6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 77094035
6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 86283934
4-tert-butyl-6-[(4,4-dimethylpiperidin-1-yl)carbonyl]pyrimidin-2(1H)-one
CID 90649677
N-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 91772642
4-tert-butyl-6-(2,7-diazaspiro[4.5]dec-7-ylcarbonyl)-2(1H)-pyrimidinone hydrochloride
CID 91779787

Frequently Asked Questions

What is the IUPAC name of 4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one (CID 56704974) is 4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one is CC(C)Cc1cc(C(=O)N2CCCC3(CCNCC3)CC2)nc(=O)[nH]1.
What is the InChIKey of 4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The InChIKey is CRZDNFYWCQOPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)12-15-13-16(22-18(25)21-15)17(24)23-10-3-4-19(7-11-23)5-8-20-9-6-19/h13-14,20H,3-12H2,1-2H3,(H,21,22,25).
What are the key properties of 4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one?
4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one has a molecular weight of 346.48 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 56704974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).