5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one

C17H27N3O3 — CID 155918801

IUPAC5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCCCC[C@@H]1CN(C(=O)c2cnc(C)[nH]c2=O)C[C@H](C(C)C)O1
InChIInChI=1S/C17H27N3O3/c1-5-6-7-13-9-20(10-15(23-13)11(2)3)17(22)14-8-18-12(4)19-16(14)21/h8,11,13,15H,5-7,9-10H2,1-4H3,(H,18,19,21)/t13-,15-/m1/s1
InChIKeyAYHHTTJAQSRVPH-UKRRQHHQSA-N
MW321.42 g/mol
LogP2.13
Rot. Bonds5

About 5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one

5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 155918801) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID155918801
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCCCC[C@@H]1CN(C(=O)c2cnc(C)[nH]c2=O)C[C@H](C(C)C)O1
InChIInChI=1S/C17H27N3O3/c1-5-6-7-13-9-20(10-15(23-13)11(2)3)17(22)14-8-18-12(4)19-16(14)21/h8,11,13,15H,5-7,9-10H2,1-4H3,(H,18,19,21)/t13-,15-/m1/s1
InChIKeyAYHHTTJAQSRVPH-UKRRQHHQSA-N
XLogP2.13
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-({4-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56901759
2-isopropyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56874336
2-propan-2-yl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554072
2-propan-2-yl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554073
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-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxamide
CID 72848069
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643
N-ethyl-2-methyl-6-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxamide
CID 90649266
2-methyl-N-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91765945
5-[(2R)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 95527971
5-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 95527972

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 155918801) is 5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one is CCCC[C@@H]1CN(C(=O)c2cnc(C)[nH]c2=O)C[C@H](C(C)C)O1.
What is the InChIKey of 5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is AYHHTTJAQSRVPH-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-6-7-13-9-20(10-15(23-13)11(2)3)17(22)14-8-18-12(4)19-16(14)21/h8,11,13,15H,5-7,9-10H2,1-4H3,(H,18,19,21)/t13-,15-/m1/s1.
What are the key properties of 5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one?
5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 321.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 155918801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).