2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one

C15H22N4O3 — CID 138380084

IUPAC2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC3(CC2)CN(C)CCO3)c(=O)[nH]1
InChIInChI=1S/C15H22N4O3/c1-11-16-9-12(13(20)17-11)14(21)19-5-3-15(4-6-19)10-18(2)7-8-22-15/h9H,3-8,10H2,1-2H3,(H,16,17,20)
InChIKeyXCMAKAKPCJBIJT-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.02
Rot. Bonds1

About 2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one

2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one (PubChem CID 138380084) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one
PubChem CID138380084
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC3(CC2)CN(C)CCO3)c(=O)[nH]1
InChIInChI=1S/C15H22N4O3/c1-11-16-9-12(13(20)17-11)14(21)19-5-3-15(4-6-19)10-18(2)7-8-22-15/h9H,3-8,10H2,1-2H3,(H,16,17,20)
InChIKeyXCMAKAKPCJBIJT-UHFFFAOYSA-N
XLogP0.02
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-({4-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56901759
2-Cyclopropyl-5-{[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]carbonyl}pyrimidin-4-ol
CID 70728008
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643
4-hydroxy-2-methyl-N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 72909134
2-methyl-N-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91765945
2-isopropyl-5-{[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 91838492
2-methyl-6-[(4-propyl-1-oxa-4,9-diazaspiro[5.5]undec-9-yl)carbonyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 131902221
3-(1-oxa-4,9-diazaspiro[5.5]undec-4-ylcarbonyl)-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride
CID 132418127
2-methyl-5-[(3-propoxypiperidin-1-yl)carbonyl]pyrimidin-4(3H)-one
CID 132421278
N-[(4-{[1-(cyclopropylmethyl)-4-piperidinyl]methyl}-5-oxo-2-morpholinyl)methyl]-2-methyl-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 154565634
3-(1-Oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 154913669
5-{[rel-(2R,6S)-2-butyl-6-isopropyl-4-morpholinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 155918801

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one (CID 138380084) is 2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCC3(CC2)CN(C)CCO3)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is XCMAKAKPCJBIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-16-9-12(13(20)17-11)14(21)19-5-3-15(4-6-19)10-18(2)7-8-22-15/h9H,3-8,10H2,1-2H3,(H,16,17,20).
What are the key properties of 2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one?
2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 306.37 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 138380084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).