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

C14H19N5O2 — CID 137145685

IUPAC2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2COCCN2Cc2nccn2C)cc(=O)[nH]1
InChIInChI=1S/C14H19N5O2/c1-10-16-11(7-14(20)17-10)12-9-21-6-5-19(12)8-13-15-3-4-18(13)2/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,17,20)/t12-/m0/s1
InChIKeyLMGRUOOCKACQMY-LBPRGKRZSA-N
MW289.34 g/mol
LogP0.39
Rot. Bonds3

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

2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one (PubChem CID 137145685) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
PubChem CID137145685
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2COCCN2Cc2nccn2C)cc(=O)[nH]1
InChIInChI=1S/C14H19N5O2/c1-10-16-11(7-14(20)17-10)12-9-21-6-5-19(12)8-13-15-3-4-18(13)2/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,17,20)/t12-/m0/s1
InChIKeyLMGRUOOCKACQMY-LBPRGKRZSA-N
XLogP0.39
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one (CID 137145685) is 2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one is Cc1nc([C@@H]2COCCN2Cc2nccn2C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is LMGRUOOCKACQMY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-16-11(7-14(20)17-10)12-9-21-6-5-19(12)8-13-15-3-4-18(13)2/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,17,20)/t12-/m0/s1.
What are the key properties of 2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 289.34 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137145685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).