2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one

C15H22N4O2 — CID 72877288

IUPAC2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CC(N3CCCCC3C)C2)c(=O)[nH]1
InChIInChI=1S/C15H22N4O2/c1-10-5-3-4-6-19(10)12-8-18(9-12)15(21)13-7-16-11(2)17-14(13)20/h7,10,12H,3-6,8-9H2,1-2H3,(H,16,17,20)
InChIKeyRFTYTYPYXOFFES-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.78
Rot. Bonds2

About 2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one

2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 72877288) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID72877288
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CC(N3CCCCC3C)C2)c(=O)[nH]1
InChIInChI=1S/C15H22N4O2/c1-10-5-3-4-6-19(10)12-8-18(9-12)15(21)13-7-16-11(2)17-14(13)20/h7,10,12H,3-6,8-9H2,1-2H3,(H,16,17,20)
InChIKeyRFTYTYPYXOFFES-UHFFFAOYSA-N
XLogP0.78
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6,7,8,9-tetrahydro-6-methyl-4-oxo-
CID 118083
1,6-Dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 214583
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
N,2-dimethyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 70709563
5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 70752567
5-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 72875592
3-Butyl-4-[(4-hydroxy-2-methylpyrimidin-5-yl)carbonyl]-1-methylpiperazin-2-one
CID 72878704
N-ethyl-2-{4-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-piperazinyl}acetamide
CID 72909858
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82509423
2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82510676
5-[(4-aminoazepan-1-yl)carbonyl]-2-methylpyrimidin-4(3H)-one
CID 91766559

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one (CID 72877288) is 2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CC(N3CCCCC3C)C2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is RFTYTYPYXOFFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-5-3-4-6-19(10)12-8-18(9-12)15(21)13-7-16-11(2)17-14(13)20/h7,10,12H,3-6,8-9H2,1-2H3,(H,16,17,20).
What are the key properties of 2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one?
2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 290.37 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 72877288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).