4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one

C13H15N5O2 — CID 137168467

IUPAC4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H]2CN(c3ncccn3)CCO2)n1
InChIInChI=1S/C13H15N5O2/c1-9-7-11(19)17-12(16-9)10-8-18(5-6-20-10)13-14-3-2-4-15-13/h2-4,7,10H,5-6,8H2,1H3,(H,16,17,19)/t10-/m1/s1
InChIKeyHMHKLCRAYSAWQM-SNVBAGLBSA-N
MW273.30 g/mol
LogP0.45
Rot. Bonds2

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

4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137168467) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137168467
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H]2CN(c3ncccn3)CCO2)n1
InChIInChI=1S/C13H15N5O2/c1-9-7-11(19)17-12(16-9)10-8-18(5-6-20-10)13-14-3-2-4-15-13/h2-4,7,10H,5-6,8H2,1H3,(H,16,17,19)/t10-/m1/s1
InChIKeyHMHKLCRAYSAWQM-SNVBAGLBSA-N
XLogP0.45
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145647
4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137131722
2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid
CID 137037818
4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140131
4-methyl-2-[(2R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140130
4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168580
4-methyl-2-[(2S)-4-(quinoline-6-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137037891
4-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137090573
N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide
CID 136844285
4-methyl-2-[(2S)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137037811
2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137052887
2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136844262

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one (CID 137168467) is 4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@H]2CN(c3ncccn3)CCO2)n1.
What is the InChIKey of 4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is HMHKLCRAYSAWQM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-7-11(19)17-12(16-9)10-8-18(5-6-20-10)13-14-3-2-4-15-13/h2-4,7,10H,5-6,8H2,1H3,(H,16,17,19)/t10-/m1/s1.
What are the key properties of 4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one?
4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 273.30 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137168467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).