6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine

C11H15N3S2 — CID 103334542

IUPAC6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(SC(C)C)nc(N)nc2s1
InChIInChI=1S/C11H15N3S2/c1-4-7-5-8-9(15-6(2)3)13-11(12)14-10(8)16-7/h5-6H,4H2,1-3H3,(H2,12,13,14)
InChIKeyDBQXBDCNZKZQHZ-UHFFFAOYSA-N
MW253.40 g/mol
LogP3.34
Rot. Bonds3

About 6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine

6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334542) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334542
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(SC(C)C)nc(N)nc2s1
InChIInChI=1S/C11H15N3S2/c1-4-7-5-8-9(15-6(2)3)13-11(12)14-10(8)16-7/h5-6H,4H2,1-3H3,(H2,12,13,14)
InChIKeyDBQXBDCNZKZQHZ-UHFFFAOYSA-N
XLogP3.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334745
4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334079
6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103334914
6-ethyl-4-(1,3-thiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103334605
4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334135
2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136678143
6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330332
1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
N,6-diethyl-4-(3-methylbutan-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765560
4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331829
2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
CID 103335360
4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 103329690

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine (CID 103334542) is 6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(SC(C)C)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is DBQXBDCNZKZQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-4-7-5-8-9(15-6(2)3)13-11(12)14-10(8)16-7/h5-6H,4H2,1-3H3,(H2,12,13,14).
What are the key properties of 6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine?
6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 253.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).