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

C19H17N3OS — CID 45275823

IUPAC2-(5-methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(CCc4ccccc4)sc3n2)o1
InChIInChI=1S/C19H17N3OS/c1-12-7-10-16(23-12)18-21-17(20)15-11-14(24-19(15)22-18)9-8-13-5-3-2-4-6-13/h2-7,10-11H,8-9H2,1H3,(H2,20,21,22)
InChIKeyCZCQGKAJTJOUKQ-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.63
Rot. Bonds4

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

2-(5-methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275823) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275823
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name2-(5-methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(CCc4ccccc4)sc3n2)o1
InChIInChI=1S/C19H17N3OS/c1-12-7-10-16(23-12)18-21-17(20)15-11-14(24-19(15)22-18)9-8-13-5-3-2-4-6-13/h2-7,10-11H,8-9H2,1H3,(H2,20,21,22)
InChIKeyCZCQGKAJTJOUKQ-UHFFFAOYSA-N
XLogP4.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.63
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-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 45275823) is 2-(5-methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3cc(CCc4ccccc4)sc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CZCQGKAJTJOUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-12-7-10-16(23-12)18-21-17(20)15-11-14(24-19(15)22-18)9-8-13-5-3-2-4-6-13/h2-7,10-11H,8-9H2,1H3,(H2,20,21,22).
What are the key properties of 2-(5-methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(5-methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 335.43 g/mol, XLogP of 4.63, 4 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-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).