6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine

C13H17N3OS2 — CID 103334914

IUPAC6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(SC3CCOCC3)nc(N)nc2s1
InChIInChI=1S/C13H17N3OS2/c1-2-8-7-10-11(18-8)15-13(14)16-12(10)19-9-3-5-17-6-4-9/h7,9H,2-6H2,1H3,(H2,14,15,16)
InChIKeyHDEGAHOFGHSSIW-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.11
Rot. Bonds3

About 6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine

6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334914) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103334914
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(SC3CCOCC3)nc(N)nc2s1
InChIInChI=1S/C13H17N3OS2/c1-2-8-7-10-11(18-8)15-13(14)16-12(10)19-9-3-5-17-6-4-9/h7,9H,2-6H2,1H3,(H2,14,15,16)
InChIKeyHDEGAHOFGHSSIW-UHFFFAOYSA-N
XLogP3.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334542
6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327889
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334745
2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 70702227
6-ethyl-4-(1,3-thiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103334605
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327762
4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334079
2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136678143
6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324441
4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 103329216
6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103987764

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine (CID 103334914) is 6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(SC3CCOCC3)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is HDEGAHOFGHSSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-2-8-7-10-11(18-8)15-13(14)16-12(10)19-9-3-5-17-6-4-9/h7,9H,2-6H2,1H3,(H2,14,15,16).
What are the key properties of 6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine?
6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).