2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one

C16H19N3O3S — CID 137149663

IUPAC2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2COCCN2C(=O)Cc2ccc(C)s2)cc(=O)[nH]1
InChIInChI=1S/C16H19N3O3S/c1-10-3-4-12(23-10)7-16(21)19-5-6-22-9-14(19)13-8-15(20)18-11(2)17-13/h3-4,8,14H,5-7,9H2,1-2H3,(H,17,18,20)/t14-/m1/s1
InChIKeyWIVQMOJPFHTACD-CQSZACIVSA-N
MW333.41 g/mol
LogP1.59
Rot. Bonds3

About 2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one (PubChem CID 137149663) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one
PubChem CID137149663
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2COCCN2C(=O)Cc2ccc(C)s2)cc(=O)[nH]1
InChIInChI=1S/C16H19N3O3S/c1-10-3-4-12(23-10)7-16(21)19-5-6-22-9-14(19)13-8-15(20)18-11(2)17-13/h3-4,8,14H,5-7,9H2,1-2H3,(H,17,18,20)/t14-/m1/s1
InChIKeyWIVQMOJPFHTACD-CQSZACIVSA-N
XLogP1.59
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844622
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
4-[(3R)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137149613
1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110132457
2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
CID 110114639
4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137140093
4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137032320
4-[(3S)-4-(1-ethyl-5-methylpyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137032362
2-methyl-4-[4-(2-methyl-1-benzofuran-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844612
4-[(3S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137131793
2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844565

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one (CID 137149663) is 2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one is Cc1nc([C@H]2COCCN2C(=O)Cc2ccc(C)s2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is WIVQMOJPFHTACD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-3-4-12(23-10)7-16(21)19-5-6-22-9-14(19)13-8-15(20)18-11(2)17-13/h3-4,8,14H,5-7,9H2,1-2H3,(H,17,18,20)/t14-/m1/s1.
What are the key properties of 2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 333.41 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137149663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).