5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

C18H29N3O3 — CID 95527972

IUPAC5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)CCC[C@H]1CN(C(=O)c2cnc(C(C)C)[nH]c2=O)CCO1
InChIInChI=1S/C18H29N3O3/c1-12(2)6-5-7-14-11-21(8-9-24-14)18(23)15-10-19-16(13(3)4)20-17(15)22/h10,12-14H,5-9,11H2,1-4H3,(H,19,20,22)/t14-/m0/s1
InChIKeySALREHYFICFIEW-AWEZNQCLSA-N
MW335.45 g/mol
LogP2.56
Rot. Bonds6

About 5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 95527972) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID95527972
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)CCC[C@H]1CN(C(=O)c2cnc(C(C)C)[nH]c2=O)CCO1
InChIInChI=1S/C18H29N3O3/c1-12(2)6-5-7-14-11-21(8-9-24-14)18(23)15-10-19-16(13(3)4)20-17(15)22/h10,12-14H,5-9,11H2,1-4H3,(H,19,20,22)/t14-/m0/s1
InChIKeySALREHYFICFIEW-AWEZNQCLSA-N
XLogP2.56
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-isopropyl-5-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}-4(3H)-pyrimidinone
CID 56866965
2-cyclopropyl-5-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}-4(3H)-pyrimidinone
CID 56880502
N-ethyl-2-methyl-6-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxamide
CID 90649266
5-[(2R)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 95527971
2-cyclopropyl-5-[(2R)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95560930
2-cyclopropyl-5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95560932
N-ethyl-2-methyl-N-[[(2S)-oxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 100044212
N-ethyl-2-methyl-N-[[(2R)-oxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 100044214
2-methyl-5-[(3-propoxypiperidin-1-yl)carbonyl]pyrimidin-4(3H)-one
CID 132421278
2-cyclopropyl-5-(2-cyclopropyl-6-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one
CID 145906344
5-{[rel-(2R,6S)-2-butyl-6-isopropyl-4-morpholinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 155918801

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 95527972) is 5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)CCC[C@H]1CN(C(=O)c2cnc(C(C)C)[nH]c2=O)CCO1.
What is the InChIKey of 5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is SALREHYFICFIEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-12(2)6-5-7-14-11-21(8-9-24-14)18(23)15-10-19-16(13(3)4)20-17(15)22/h10,12-14H,5-9,11H2,1-4H3,(H,19,20,22)/t14-/m0/s1.
What are the key properties of 5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 335.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 95527972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).