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

C20H32N4O3 — CID 136679122

IUPAC5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCC[C@@H]1CCCN(C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)CC1
InChIInChI=1S/C20H32N4O3/c1-3-16-5-4-9-23(10-8-16)18(25)7-6-17-15(2)21-20(22-19(17)26)24-11-13-27-14-12-24/h16H,3-14H2,1-2H3,(H,21,22,26)/t16-/m1/s1
InChIKeyONYFXMVJOJRZEB-MRXNPFEDSA-N
MW376.50 g/mol
LogP1.89
Rot. Bonds5

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

5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 136679122) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID136679122
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCC[C@@H]1CCCN(C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)CC1
InChIInChI=1S/C20H32N4O3/c1-3-16-5-4-9-23(10-8-16)18(25)7-6-17-15(2)21-20(22-19(17)26)24-11-13-27-14-12-24/h16H,3-14H2,1-2H3,(H,21,22,26)/t16-/m1/s1
InChIKeyONYFXMVJOJRZEB-MRXNPFEDSA-N
XLogP1.89
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 137288209
4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 135667510
4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one
CID 137232151
1-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 136948097
N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137302255
N-cyclohexyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137278239
4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
CID 135462710
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-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidin-6-one
CID 135903795
2-[butan-2-yl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]acetic acid
CID 137108633
N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-phenylpropanamide
CID 135877201
(2S,3S)-3-methyl-2-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid
CID 136990426

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 136679122) is 5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one is CC[C@@H]1CCCN(C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)CC1.
What is the InChIKey of 5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is ONYFXMVJOJRZEB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-3-16-5-4-9-23(10-8-16)18(25)7-6-17-15(2)21-20(22-19(17)26)24-11-13-27-14-12-24/h16H,3-14H2,1-2H3,(H,21,22,26)/t16-/m1/s1.
What are the key properties of 5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 376.50 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136679122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).