5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one

C18H28N4O3 — CID 137288209

IUPAC5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCCCCC1
InChIInChI=1S/C18H28N4O3/c1-14-15(6-7-16(23)21-8-4-2-3-5-9-21)17(24)20-18(19-14)22-10-12-25-13-11-22/h2-13H2,1H3,(H,19,20,24)
InChIKeyZTSVETYNFWBKPL-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.25
Rot. Bonds4

About 5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one

5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 137288209) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID137288209
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCCCCC1
InChIInChI=1S/C18H28N4O3/c1-14-15(6-7-16(23)21-8-4-2-3-5-9-21)17(24)20-18(19-14)22-10-12-25-13-11-22/h2-13H2,1H3,(H,19,20,24)
InChIKeyZTSVETYNFWBKPL-UHFFFAOYSA-N
XLogP1.25
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 135667510
5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136679122
1-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 136948097
4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one
CID 137232151
4-methyl-2-morpholin-4-yl-5-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidin-6-one
CID 135903795
N-cyclohexyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137278239
2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid
CID 136990446
4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
CID 135462710
N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137302255
N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-phenylpropanamide
CID 135877201
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 135883436
2-[butan-2-yl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]acetic acid
CID 137108633

Frequently Asked Questions

What is the IUPAC name of 5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 137288209) is 5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one is Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCCCCC1.
What is the InChIKey of 5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is ZTSVETYNFWBKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-14-15(6-7-16(23)21-8-4-2-3-5-9-21)17(24)20-18(19-14)22-10-12-25-13-11-22/h2-13H2,1H3,(H,19,20,24).
What are the key properties of 5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 348.45 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137288209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).