1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one

C17H24N4O4 — CID 136793093

IUPAC1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one
SMILESCc1cc(=O)[nH]c(C2CN(C(=O)CN3CCCCCC3=O)CCO2)n1
InChIInChI=1S/C17H24N4O4/c1-12-9-14(22)19-17(18-12)13-10-21(7-8-25-13)16(24)11-20-6-4-2-3-5-15(20)23/h9,13H,2-8,10-11H2,1H3,(H,18,19,22)
InChIKeyQDHXXIKNVCZJBE-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.38
Rot. Bonds3

About 1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one

1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one (PubChem CID 136793093) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one
PubChem CID136793093
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one
SMILESCc1cc(=O)[nH]c(C2CN(C(=O)CN3CCCCCC3=O)CCO2)n1
InChIInChI=1S/C17H24N4O4/c1-12-9-14(22)19-17(18-12)13-10-21(7-8-25-13)16(24)11-20-6-4-2-3-5-15(20)23/h9,13H,2-8,10-11H2,1H3,(H,18,19,22)
InChIKeyQDHXXIKNVCZJBE-UHFFFAOYSA-N
XLogP0.38
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one with MolForge

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Related Compounds

1-[2-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]azepan-2-one
CID 127251546
N-[2-[(2R)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 137131786
1-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110102640
2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid
CID 137037818
2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136793086
2-[(2S)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137169800
4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168597
1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124950641
2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145675
4-methyl-2-[(2R)-4-(thiophene-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137044860
2-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145647
4-methyl-2-[4-(1-propylpyrazole-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844343

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one?
The IUPAC name of 1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one (CID 136793093) is 1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one.
What is the SMILES notation for 1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one?
The canonical SMILES for 1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one is Cc1cc(=O)[nH]c(C2CN(C(=O)CN3CCCCCC3=O)CCO2)n1.
What is the InChIKey of 1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one?
The InChIKey is QDHXXIKNVCZJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12-9-14(22)19-17(18-12)13-10-21(7-8-25-13)16(24)11-20-6-4-2-3-5-15(20)23/h9,13H,2-8,10-11H2,1H3,(H,18,19,22).
What are the key properties of 1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one?
1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one has a molecular weight of 348.40 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one is sourced from PubChem (CID 136793093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).