2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

C16H23N3O3S2 — CID 133405891

IUPAC2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCC2(CS(C)(=O)=O)CCOCC2)c2ccsc2n1
InChIInChI=1S/C16H23N3O3S2/c1-3-13-18-14(12-4-9-23-15(12)19-13)17-10-16(11-24(2,20)21)5-7-22-8-6-16/h4,9H,3,5-8,10-11H2,1-2H3,(H,17,18,19)
InChIKeyAWSGZHCVLBODIE-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.51
Rot. Bonds6

About 2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133405891) has the molecular formula C16H23N3O3S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133405891
Molecular FormulaC16H23N3O3S2
Molecular Weight369.51 g/mol
Exact Mass369.12
IUPAC Name2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCC2(CS(C)(=O)=O)CCOCC2)c2ccsc2n1
InChIInChI=1S/C16H23N3O3S2/c1-3-13-18-14(12-4-9-23-15(12)19-13)17-10-16(11-24(2,20)21)5-7-22-8-6-16/h4,9H,3,5-8,10-11H2,1-2H3,(H,17,18,19)
InChIKeyAWSGZHCVLBODIE-UHFFFAOYSA-N
XLogP2.51
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine 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

2-ethyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403928
2,5,6-trimethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidin-4-amine
CID 133405927
2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404764
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 122058535
N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133405929
[1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 103329348
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329346
N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-1,3-benzothiazol-2-amine
CID 133405909
N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide
CID 133423697
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060901
2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403949
2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 138057545

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 133405891) is 2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCC2(CS(C)(=O)=O)CCOCC2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AWSGZHCVLBODIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2/c1-3-13-18-14(12-4-9-23-15(12)19-13)17-10-16(11-24(2,20)21)5-7-22-8-6-16/h4,9H,3,5-8,10-11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 369.51 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133405891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).