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

C14H17N5O3 — CID 136844628

IUPAC2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2COCCN2C(=O)c2nccn2C)cc(=O)[nH]1
InChIInChI=1S/C14H17N5O3/c1-9-16-10(7-12(20)17-9)11-8-22-6-5-19(11)14(21)13-15-3-4-18(13)2/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,17,20)
InChIKeyDIYBTVVRZANRGS-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.03
Rot. Bonds2

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

2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136844628) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
PubChem CID136844628
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2COCCN2C(=O)c2nccn2C)cc(=O)[nH]1
InChIInChI=1S/C14H17N5O3/c1-9-16-10(7-12(20)17-9)11-8-22-6-5-19(11)14(21)13-15-3-4-18(13)2/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,17,20)
InChIKeyDIYBTVVRZANRGS-UHFFFAOYSA-N
XLogP0.03
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(3S)-4-(4-methylpyrimidine-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137168474
4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844551
2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137166586
2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 137145685
2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137044847
2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844513
2-methyl-4-[(3R)-4-(quinoline-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137149633
4-[(3S)-4-(1-ethyl-5-methylpyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137032362
2-methyl-4-[4-(2-methyl-1-benzofuran-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844612

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one (CID 136844628) is 2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one is Cc1nc(C2COCCN2C(=O)c2nccn2C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is DIYBTVVRZANRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-9-16-10(7-12(20)17-9)11-8-22-6-5-19(11)14(21)13-15-3-4-18(13)2/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,17,20).
What are the key properties of 2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 303.32 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136844628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).