(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone

C16H17N3OS — CID 119062800

IUPAC(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1CCSCC1
InChIInChI=1S/C16H17N3OS/c1-12-14(16(20)19-7-9-21-10-8-19)11-17-15(18-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyPBUGWGAEYXDFMD-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.64
Rot. Bonds2

About (4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone

(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone (PubChem CID 119062800) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is (4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
PubChem CID119062800
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1CCSCC1
InChIInChI=1S/C16H17N3OS/c1-12-14(16(20)19-7-9-21-10-8-19)11-17-15(18-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyPBUGWGAEYXDFMD-UHFFFAOYSA-N
XLogP2.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzhydrylpiperazin-1-yl)-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 100753052
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 99635559
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
(4-methyl-2-phenylpyrimidin-5-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 119070432
(3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
CID 128984238
1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72939622
2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 56742818
N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157601
ethyl 2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 1474606
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510
(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 74237399
[4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670223

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone (CID 119062800) is (4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone is Cc1nc(-c2ccccc2)ncc1C(=O)N1CCSCC1.
What is the InChIKey of (4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is PBUGWGAEYXDFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-12-14(16(20)19-7-9-21-10-8-19)11-17-15(18-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3.
What are the key properties of (4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone?
(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 299.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 119062800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).