2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one

C14H16N4O3S — CID 137168529

IUPAC2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(C(=O)c3scnc3C)CCO2)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O3S/c1-8-13(22-7-15-8)14(20)18-3-4-21-11(6-18)10-5-12(19)17-9(2)16-10/h5,7,11H,3-4,6H2,1-2H3,(H,16,17,19)/t11-/m0/s1
InChIKeyIHKFLNDLIQPHKK-NSHDSACASA-N
MW320.37 g/mol
LogP1.06
Rot. Bonds2

About 2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one

2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137168529) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137168529
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(C(=O)c3scnc3C)CCO2)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O3S/c1-8-13(22-7-15-8)14(20)18-3-4-21-11(6-18)10-5-12(19)17-9(2)16-10/h5,7,11H,3-4,6H2,1-2H3,(H,16,17,19)/t11-/m0/s1
InChIKeyIHKFLNDLIQPHKK-NSHDSACASA-N
XLogP1.06
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-methyl-1,3-thiazol-5-yl)-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124998940
4-[(2S)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137044866
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
[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110272030
2-(dimethylamino)-4-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821108
2-methyl-4-[(2R)-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140116
N-methyl-6-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847922
4-[(2S)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137106030

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one (CID 137168529) is 2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one is Cc1nc([C@@H]2CN(C(=O)c3scnc3C)CCO2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is IHKFLNDLIQPHKK-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-8-13(22-7-15-8)14(20)18-3-4-21-11(6-18)10-5-12(19)17-9(2)16-10/h5,7,11H,3-4,6H2,1-2H3,(H,16,17,19)/t11-/m0/s1.
What are the key properties of 2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 320.37 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137168529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).