2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C8H11N3S — CID 83190972

IUPAC2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(N)c2c(n1)CSC2
InChIInChI=1S/C8H11N3S/c1-2-7-10-6-4-12-3-5(6)8(9)11-7/h2-4H2,1H3,(H2,9,10,11)
InChIKeyPNTROVYJSKWAOO-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.37
Rot. Bonds1

About 2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83190972) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83190972
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(N)c2c(n1)CSC2
InChIInChI=1S/C8H11N3S/c1-2-7-10-6-4-12-3-5(6)8(9)11-7/h2-4H2,1H3,(H2,9,10,11)
InChIKeyPNTROVYJSKWAOO-UHFFFAOYSA-N
XLogP1.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83190972) is 2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCc1nc(N)c2c(n1)CSC2.
What is the InChIKey of 2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is PNTROVYJSKWAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-2-7-10-6-4-12-3-5(6)8(9)11-7/h2-4H2,1H3,(H2,9,10,11).
What are the key properties of 2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 181.26 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83190972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).