(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone

C17H20N4O2S — CID 40658340

IUPAC(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
SMILESCc1cc(N)nc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)n1
InChIInChI=1S/C17H20N4O2S/c1-12-11-14(18)20-17(19-12)24-15(13-5-3-2-4-6-13)16(22)21-7-9-23-10-8-21/h2-6,11,15H,7-10H2,1H3,(H2,18,19,20)/t15-/m0/s1
InChIKeyZYGHXRSBNMYQRA-HNNXBMFYSA-N
MW344.44 g/mol
LogP2.06
Rot. Bonds4

About (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone

(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone (PubChem CID 40658340) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
PubChem CID40658340
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
SMILESCc1cc(N)nc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)n1
InChIInChI=1S/C17H20N4O2S/c1-12-11-14(18)20-17(19-12)24-15(13-5-3-2-4-6-13)16(22)21-7-9-23-10-8-21/h2-6,11,15H,7-10H2,1H3,(H2,18,19,20)/t15-/m0/s1
InChIKeyZYGHXRSBNMYQRA-HNNXBMFYSA-N
XLogP2.06
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone 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

1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 17409352
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 17444785
(2R)-2-phenyl-1-piperidin-1-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 93011629
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
CID 735994
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
CID 36826912
(2S)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 40657342
3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
CID 18199015
2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 16563869
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 95940201
(2S)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 7703409
(2S)-2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 40791553
(2S)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 7704885

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone (CID 40658340) is (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone is Cc1cc(N)nc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)n1.
What is the InChIKey of (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is ZYGHXRSBNMYQRA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-11-14(18)20-17(19-12)24-15(13-5-3-2-4-6-13)16(22)21-7-9-23-10-8-21/h2-6,11,15H,7-10H2,1H3,(H2,18,19,20)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone?
(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 344.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 40658340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).