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

C14H17N5O3 — CID 137044847

IUPAC2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(C(=O)c3nccn3C)CCO2)cc(=O)[nH]1
InChIInChI=1S/C14H17N5O3/c1-9-16-10(7-12(20)17-9)11-8-19(5-6-22-11)14(21)13-15-3-4-18(13)2/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,17,20)/t11-/m0/s1
InChIKeyXFENKYMJQRMUHG-NSHDSACASA-N
MW303.32 g/mol
LogP0.03
Rot. Bonds2

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

2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137044847) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137044847
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(C(=O)c3nccn3C)CCO2)cc(=O)[nH]1
InChIInChI=1S/C14H17N5O3/c1-9-16-10(7-12(20)17-9)11-8-19(5-6-22-11)14(21)13-15-3-4-18(13)2/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,17,20)/t11-/m0/s1
InChIKeyXFENKYMJQRMUHG-NSHDSACASA-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-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844513
2-methyl-4-[(2R)-4-(2-methylpyrimidine-4-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137131748
(1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 95847621
2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168529
2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844628
(1-methylimidazol-2-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102627
4-[(2S)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137044866
4-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]-4-oxobutanoic acid
CID 137145712
4-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]-4-oxobutanoic acid
CID 136844422
(1-methylimidazol-2-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014614
4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166570
2-methyl-4-[(2R)-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140116

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one (CID 137044847) is 2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one is Cc1nc([C@@H]2CN(C(=O)c3nccn3C)CCO2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is XFENKYMJQRMUHG-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N5O3/c1-9-16-10(7-12(20)17-9)11-8-19(5-6-22-11)14(21)13-15-3-4-18(13)2/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,17,20)/t11-/m0/s1.
What are the key properties of 2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-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-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137044847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).