2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine

C21H26N4O2S2 — CID 133405446

IUPAC2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2ccccc2CS(=O)(=O)N2CCCCC2)c2ccsc2n1
InChIInChI=1S/C21H26N4O2S2/c1-2-19-23-20(18-10-13-28-21(18)24-19)22-14-16-8-4-5-9-17(16)15-29(26,27)25-11-6-3-7-12-25/h4-5,8-10,13H,2-3,6-7,11-12,14-15H2,1H3,(H,22,23,24)
InChIKeySCBNQKWIQSRTBG-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.18
Rot. Bonds7

About 2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133405446) has the molecular formula C21H26N4O2S2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133405446
Molecular FormulaC21H26N4O2S2
Molecular Weight430.60 g/mol
Exact Mass430.15
IUPAC Name2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2ccccc2CS(=O)(=O)N2CCCCC2)c2ccsc2n1
InChIInChI=1S/C21H26N4O2S2/c1-2-19-23-20(18-10-13-28-21(18)24-19)22-14-16-8-4-5-9-17(16)15-29(26,27)25-11-6-3-7-12-25/h4-5,8-10,13H,2-3,6-7,11-12,14-15H2,1H3,(H,22,23,24)
InChIKeySCBNQKWIQSRTBG-UHFFFAOYSA-N
XLogP4.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403928
4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328357
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614
2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403949
2-ethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404042
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403456
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-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 138046013
2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404764

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 133405446) is 2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCc2ccccc2CS(=O)(=O)N2CCCCC2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SCBNQKWIQSRTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S2/c1-2-19-23-20(18-10-13-28-21(18)24-19)22-14-16-8-4-5-9-17(16)15-29(26,27)25-11-6-3-7-12-25/h4-5,8-10,13H,2-3,6-7,11-12,14-15H2,1H3,(H,22,23,24).
What are the key properties of 2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 430.60 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133405446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).