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

C14H15N5O3 — CID 137168597

IUPAC4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@@H]2CN(C(=O)c3cncnc3)CCO2)n1
InChIInChI=1S/C14H15N5O3/c1-9-4-12(20)18-13(17-9)11-7-19(2-3-22-11)14(21)10-5-15-8-16-6-10/h4-6,8,11H,2-3,7H2,1H3,(H,17,18,20)/t11-/m0/s1
InChIKeyJFGYFTZDJKTBEG-NSHDSACASA-N
MW301.31 g/mol
LogP0.08
Rot. Bonds2

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

4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137168597) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137168597
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@@H]2CN(C(=O)c3cncnc3)CCO2)n1
InChIInChI=1S/C14H15N5O3/c1-9-4-12(20)18-13(17-9)11-7-19(2-3-22-11)14(21)10-5-15-8-16-6-10/h4-6,8,11H,2-3,7H2,1H3,(H,17,18,20)/t11-/m0/s1
InChIKeyJFGYFTZDJKTBEG-NSHDSACASA-N
XLogP0.08
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[(2R)-4-(thiophene-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137044860
4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844301
4-methyl-2-[(2S)-4-(quinoline-6-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137037891
4-methyl-2-[4-(1-propylpyrazole-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844343
N-[2-[(2R)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 137131786
2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145708
2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid
CID 137037818
2-[(2S)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137169800
2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136793086
1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one
CID 136793093
2-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145647
[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124944788

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one (CID 137168597) is 4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@@H]2CN(C(=O)c3cncnc3)CCO2)n1.
What is the InChIKey of 4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is JFGYFTZDJKTBEG-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N5O3/c1-9-4-12(20)18-13(17-9)11-7-19(2-3-22-11)14(21)10-5-15-8-16-6-10/h4-6,8,11H,2-3,7H2,1H3,(H,17,18,20)/t11-/m0/s1.
What are the key properties of 4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 301.31 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137168597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).