2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

C19H17N3OS — CID 45275719

IUPAC2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(C(C)c4ccccc4)sc3n2)o1
InChIInChI=1S/C19H17N3OS/c1-11-8-9-15(23-11)18-21-17(20)14-10-16(24-19(14)22-18)12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,20,21,22)
InChIKeyBOOIVHMUPCSFPC-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.99
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275719) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275719
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(C(C)c4ccccc4)sc3n2)o1
InChIInChI=1S/C19H17N3OS/c1-11-8-9-15(23-11)18-21-17(20)14-10-16(24-19(14)22-18)12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,20,21,22)
InChIKeyBOOIVHMUPCSFPC-UHFFFAOYSA-N
XLogP4.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 45275719) is 2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3cc(C(C)c4ccccc4)sc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BOOIVHMUPCSFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-11-8-9-15(23-11)18-21-17(20)14-10-16(24-19(14)22-18)12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,20,21,22).
What are the key properties of 2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 335.43 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).