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

C16H21N3O2S — CID 137037874

IUPAC4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1ccsc1CN1CCO[C@H](CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C16H21N3O2S/c1-12-4-7-22-15(12)10-19-5-6-21-14(9-19)3-2-13-8-16(20)18-11-17-13/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3,(H,17,18,20)/t14-/m1/s1
InChIKeyDUVVIXOHODDFFF-CQSZACIVSA-N
MW319.43 g/mol
LogP1.97
Rot. Bonds5

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

4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 137037874) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID137037874
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1ccsc1CN1CCO[C@H](CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C16H21N3O2S/c1-12-4-7-22-15(12)10-19-5-6-21-14(9-19)3-2-13-8-16(20)18-11-17-13/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3,(H,17,18,20)/t14-/m1/s1
InChIKeyDUVVIXOHODDFFF-CQSZACIVSA-N
XLogP1.97
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844744
4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137052897
4-[2-[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844671
4-[2-[(2R)-4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137149630
4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844694
4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140144
4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137131701
4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140068
4-[2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844775
4-[2-[(2R)-4-(6-methyl-2-pyridinyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137145761
4-[2-[(2S)-4-(4-methyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137044881
4-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844658

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 137037874) is 4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is Cc1ccsc1CN1CCO[C@H](CCc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is DUVVIXOHODDFFF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12-4-7-22-15(12)10-19-5-6-21-14(9-19)3-2-13-8-16(20)18-11-17-13/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3,(H,17,18,20)/t14-/m1/s1.
What are the key properties of 4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 319.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137037874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).