4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one

C16H18N4O4 — CID 136844551

IUPAC4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ncccc1C(=O)N1CCOCC1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C16H18N4O4/c1-10-18-12(8-14(21)19-10)13-9-24-7-6-20(13)16(22)11-4-3-5-17-15(11)23-2/h3-5,8,13H,6-7,9H2,1-2H3,(H,18,19,21)
InChIKeyJSLXLKIZIYZXKZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.70
Rot. Bonds3

About 4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136844551) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136844551
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ncccc1C(=O)N1CCOCC1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C16H18N4O4/c1-10-18-12(8-14(21)19-10)13-9-24-7-6-20(13)16(22)11-4-3-5-17-15(11)23-2/h3-5,8,13H,6-7,9H2,1-2H3,(H,18,19,21)
InChIKeyJSLXLKIZIYZXKZ-UHFFFAOYSA-N
XLogP0.70
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[(3R)-4-(quinoline-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137149633
4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137032320
2-methyl-4-[(3S)-4-(4-methylpyrimidine-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137168474
4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166547
2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844628
4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137140093
2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844565
4-[(3R)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137149613
4-[(3S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137131793
2-methyl-4-[4-(2-methyl-1-benzofuran-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844612
2-methyl-4-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844639
4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844622

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 136844551) is 4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one is COc1ncccc1C(=O)N1CCOCC1c1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is JSLXLKIZIYZXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-10-18-12(8-14(21)19-10)13-9-24-7-6-20(13)16(22)11-4-3-5-17-15(11)23-2/h3-5,8,13H,6-7,9H2,1-2H3,(H,18,19,21).
What are the key properties of 4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 330.34 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136844551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).