1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione

C18H23N3O2S — CID 95630129

IUPAC1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione
SMILESC[C@H]1SCCN(Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1
InChIInChI=1S/C18H23N3O2S/c1-13-17(14-7-5-4-6-8-14)21(9-10-24-13)12-15-11-16(22)20(3)18(23)19(15)2/h4-8,11,13,17H,9-10,12H2,1-3H3/t13-,17+/m1/s1
InChIKeyWOJAFUVMEFZWAJ-DYVFJYSZSA-N
MW345.47 g/mol
LogP1.76
Rot. Bonds3

About 1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione (PubChem CID 95630129) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione
PubChem CID95630129
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione
SMILESC[C@H]1SCCN(Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1
InChIInChI=1S/C18H23N3O2S/c1-13-17(14-7-5-4-6-8-14)21(9-10-24-13)12-15-11-16(22)20(3)18(23)19(15)2/h4-8,11,13,17H,9-10,12H2,1-3H3/t13-,17+/m1/s1
InChIKeyWOJAFUVMEFZWAJ-DYVFJYSZSA-N
XLogP1.76
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

2-methyl-5-[(2-methyl-3-phenylthiomorpholin-4-yl)methyl]-1,3,4-oxadiazole
CID 56792507
1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione
CID 42890000
N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide
CID 95630156
(2R,3S)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-3-phenylthiomorpholine
CID 95630131
3-cyclopropyl-5-[[(2S,3S)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]-1,2,4-oxadiazole
CID 95630116
2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine
CID 119931929
N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide
CID 95630149
6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46673823
6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 112734010
4-methyl-2-[2-[(2S,3S)-2-methyl-3-phenylthiomorpholin-4-yl]-2-oxoethyl]-1,2,4-triazol-3-one
CID 124615900
6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 63908860
6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 95270913

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione (CID 95630129) is 1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione is C[C@H]1SCCN(Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1.
What is the InChIKey of 1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is WOJAFUVMEFZWAJ-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-17(14-7-5-4-6-8-14)21(9-10-24-13)12-15-11-16(22)20(3)18(23)19(15)2/h4-8,11,13,17H,9-10,12H2,1-3H3/t13-,17+/m1/s1.
What are the key properties of 1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 345.47 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 95630129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).