4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one

C18H19N5O3 — CID 136844301

IUPAC4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(C(=O)c3ccc4nc(C)[nH]c4c3)CCO2)n1
InChIInChI=1S/C18H19N5O3/c1-10-7-16(24)22-17(19-10)15-9-23(5-6-26-15)18(25)12-3-4-13-14(8-12)21-11(2)20-13/h3-4,7-8,15H,5-6,9H2,1-2H3,(H,20,21)(H,19,22,24)
InChIKeyJSVQAINTUUOLHK-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.48
Rot. Bonds2

About 4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one

4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 136844301) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID136844301
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(C(=O)c3ccc4nc(C)[nH]c4c3)CCO2)n1
InChIInChI=1S/C18H19N5O3/c1-10-7-16(24)22-17(19-10)15-9-23(5-6-26-15)18(25)12-3-4-13-14(8-12)21-11(2)20-13/h3-4,7-8,15H,5-6,9H2,1-2H3,(H,20,21)(H,19,22,24)
InChIKeyJSVQAINTUUOLHK-UHFFFAOYSA-N
XLogP1.48
TPSA103.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(2S)-4-(quinoline-6-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137037891
(2-methyl-3H-benzimidazol-5-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102686
4-methyl-2-[(2R)-4-(thiophene-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137044860
4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168597
[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 124975236
[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 92604247
4-methyl-2-[4-(1-propylpyrazole-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844343
4-[(2S)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137044866
1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 110089596
(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125025602
2-methyl-4-[(2R)-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140116
2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136844328

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one (CID 136844301) is 4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2CN(C(=O)c3ccc4nc(C)[nH]c4c3)CCO2)n1.
What is the InChIKey of 4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is JSVQAINTUUOLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-10-7-16(24)22-17(19-10)15-9-23(5-6-26-15)18(25)12-3-4-13-14(8-12)21-11(2)20-13/h3-4,7-8,15H,5-6,9H2,1-2H3,(H,20,21)(H,19,22,24).
What are the key properties of 4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 353.38 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136844301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).