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

C20H17N3OS — CID 45275824

IUPAC6-benzyl-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(C3CC3)o2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C20H17N3OS/c21-18-15-11-14(10-12-4-2-1-3-5-12)25-20(15)23-19(22-18)17-9-8-16(24-17)13-6-7-13/h1-5,8-9,11,13H,6-7,10H2,(H2,21,22,23)
InChIKeyNVNOBGYXPMPAEC-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.00
Rot. Bonds4

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

6-benzyl-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275824) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-benzyl-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275824
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name6-benzyl-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(C3CC3)o2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C20H17N3OS/c21-18-15-11-14(10-12-4-2-1-3-5-12)25-20(15)23-19(22-18)17-9-8-16(24-17)13-6-7-13/h1-5,8-9,11,13H,6-7,10H2,(H2,21,22,23)
InChIKeyNVNOBGYXPMPAEC-UHFFFAOYSA-N
XLogP5.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 3483703
6-Benzyl-2-(5-isopropyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45274227
6-[(2-Chlorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45274330
2-[5-(Difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 45274426
6-Benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 45274431
6-Benzyl-2-(5-methyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275517
6-Benzyl-2-(5-ethyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275619
6-[(2-Methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45275715
(+/-)-2-(5-Methyl-furan-2-yl)-6-(1-phenyl-ethyl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275719
5-(4-Amino-6-benzyl-thieno[2,3-d]pyrimidin-2-yl)-furan-2-carbonitrile
CID 45275819
2-(5-Methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45275823
6-[(3,3-Difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45278533

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45275824) is 6-benzyl-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2ccc(C3CC3)o2)nc2sc(Cc3ccccc3)cc12.
What is the InChIKey of 6-benzyl-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NVNOBGYXPMPAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c21-18-15-11-14(10-12-4-2-1-3-5-12)25-20(15)23-19(22-18)17-9-8-16(24-17)13-6-7-13/h1-5,8-9,11,13H,6-7,10H2,(H2,21,22,23).
What are the key properties of 6-benzyl-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 347.44 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).