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

C15H17FN4O2 — CID 137052983

IUPAC4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2COCCN2Cc2ncccc2F)cc(=O)[nH]1
InChIInChI=1S/C15H17FN4O2/c1-10-18-12(7-15(21)19-10)14-9-22-6-5-20(14)8-13-11(16)3-2-4-17-13/h2-4,7,14H,5-6,8-9H2,1H3,(H,18,19,21)/t14-/m0/s1
InChIKeyOMFIHDVIBCDELU-AWEZNQCLSA-N
MW304.32 g/mol
LogP1.19
Rot. Bonds3

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

4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137052983) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137052983
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2COCCN2Cc2ncccc2F)cc(=O)[nH]1
InChIInChI=1S/C15H17FN4O2/c1-10-18-12(7-15(21)19-10)14-9-22-6-5-20(14)8-13-11(16)3-2-4-17-13/h2-4,7,14H,5-6,8-9H2,1H3,(H,18,19,21)/t14-/m0/s1
InChIKeyOMFIHDVIBCDELU-AWEZNQCLSA-N
XLogP1.19
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844568
2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 137145685
2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 137168586
2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137030456
2-methyl-4-[4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844603
4-[(3S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137140075
2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844600
4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844551
2-methyl-4-[(3R)-4-(quinoline-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137149633
2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137166586
2-methyl-4-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844639
2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844628

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 137052983) is 4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc([C@@H]2COCCN2Cc2ncccc2F)cc(=O)[nH]1.
What is the InChIKey of 4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is OMFIHDVIBCDELU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-10-18-12(7-15(21)19-10)14-9-22-6-5-20(14)8-13-11(16)3-2-4-17-13/h2-4,7,14H,5-6,8-9H2,1H3,(H,18,19,21)/t14-/m0/s1.
What are the key properties of 4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 304.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137052983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).