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

C15H22N4O2 — CID 97126630

IUPAC2-methyl-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CC(N3CCCC[C@@H]3C)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)/t10-/m0/s1
InChIKeyRFTYTYPYXOFFES-JTQLQIEISA-N
MW290.37 g/mol
LogP0.78
Rot. Bonds2

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

2-methyl-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 97126630) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methyl-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID97126630
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-methyl-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CC(N3CCCC[C@@H]3C)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)/t10-/m0/s1
InChIKeyRFTYTYPYXOFFES-JTQLQIEISA-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one (CID 97126630) is 2-methyl-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CC(N3CCCC[C@@H]3C)C2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is RFTYTYPYXOFFES-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of 2-methyl-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one?
2-methyl-5-[3-[(2S)-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-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 97126630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).