2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one

C16H18N4O3 — CID 137169709

IUPAC2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2CN(C(=O)Cc3cccnc3)CCO2)cc(=O)[nH]1
InChIInChI=1S/C16H18N4O3/c1-11-18-13(8-15(21)19-11)14-10-20(5-6-23-14)16(22)7-12-3-2-4-17-9-12/h2-4,8-9,14H,5-7,10H2,1H3,(H,18,19,21)/t14-/m1/s1
InChIKeyBIFHVTOKWQJPHG-CQSZACIVSA-N
MW314.34 g/mol
LogP0.62
Rot. Bonds3

About 2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one

2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137169709) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137169709
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2CN(C(=O)Cc3cccnc3)CCO2)cc(=O)[nH]1
InChIInChI=1S/C16H18N4O3/c1-11-18-13(8-15(21)19-11)14-10-20(5-6-23-14)16(22)7-12-3-2-4-17-9-12/h2-4,8-9,14H,5-7,10H2,1H3,(H,18,19,21)/t14-/m1/s1
InChIKeyBIFHVTOKWQJPHG-CQSZACIVSA-N
XLogP0.62
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[(2S)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137169708
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
4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137052908
2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136844394
4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166570
4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030403
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 81208117
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
2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137044847
4-[(2S)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137044866

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one (CID 137169709) is 2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one is Cc1nc([C@H]2CN(C(=O)Cc3cccnc3)CCO2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is BIFHVTOKWQJPHG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-18-13(8-15(21)19-11)14-10-20(5-6-23-14)16(22)7-12-3-2-4-17-9-12/h2-4,8-9,14H,5-7,10H2,1H3,(H,18,19,21)/t14-/m1/s1.
What are the key properties of 2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 314.34 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137169709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).