N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C12H13N3OS — CID 83190672

IUPACN-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccoc2)nc2c1CSC2
InChIInChI=1S/C12H13N3OS/c1-2-13-12-9-6-17-7-10(9)14-11(15-12)8-3-4-16-5-8/h3-5H,2,6-7H2,1H3,(H,13,14,15)
InChIKeyXIAMWHUAYKTOTE-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.92
Rot. Bonds3

About N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83190672) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83190672
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccoc2)nc2c1CSC2
InChIInChI=1S/C12H13N3OS/c1-2-13-12-9-6-17-7-10(9)14-11(15-12)8-3-4-16-5-8/h3-5H,2,6-7H2,1H3,(H,13,14,15)
InChIKeyXIAMWHUAYKTOTE-UHFFFAOYSA-N
XLogP2.92
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83190672) is N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(-c2ccoc2)nc2c1CSC2.
What is the InChIKey of N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is XIAMWHUAYKTOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-2-13-12-9-6-17-7-10(9)14-11(15-12)8-3-4-16-5-8/h3-5H,2,6-7H2,1H3,(H,13,14,15).
What are the key properties of N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 247.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83190672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).