2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C18H24N4OS — CID 50960647

IUPAC2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CCN)nc(NC(C)CCc3ccco3)c2c1C
InChIInChI=1S/C18H24N4OS/c1-11(6-7-14-5-4-10-23-14)20-17-16-12(2)13(3)24-18(16)22-15(21-17)8-9-19/h4-5,10-11H,6-9,19H2,1-3H3,(H,20,21,22)
InChIKeyZLFJSIWHMCUDEO-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.84
Rot. Bonds7

About 2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 50960647) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID50960647
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CCN)nc(NC(C)CCc3ccco3)c2c1C
InChIInChI=1S/C18H24N4OS/c1-11(6-7-14-5-4-10-23-14)20-17-16-12(2)13(3)24-18(16)22-15(21-17)8-9-19/h4-5,10-11H,6-9,19H2,1-3H3,(H,20,21,22)
InChIKeyZLFJSIWHMCUDEO-UHFFFAOYSA-N
XLogP3.84
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 50960647) is 2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CCN)nc(NC(C)CCc3ccco3)c2c1C.
What is the InChIKey of 2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZLFJSIWHMCUDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-11(6-7-14-5-4-10-23-14)20-17-16-12(2)13(3)24-18(16)22-15(21-17)8-9-19/h4-5,10-11H,6-9,19H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 344.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 50960647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).