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

C20H19N3OS — CID 45274227

IUPAC6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1
InChIInChI=1S/C20H19N3OS/c1-12(2)16-8-9-17(24-16)19-22-18(21)15-11-14(25-20(15)23-19)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23)
InChIKeyBVTZXEVYMYHUKI-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.25
Rot. Bonds4

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

6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45274227) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45274227
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1
InChIInChI=1S/C20H19N3OS/c1-12(2)16-8-9-17(24-16)19-22-18(21)15-11-14(25-20(15)23-19)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23)
InChIKeyBVTZXEVYMYHUKI-UHFFFAOYSA-N
XLogP5.25
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

F1174-1718
CID 704116
2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 3483703
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-Benzyl-2-(5-cyclopropyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275824

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45274227) is 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is CC(C)c1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1.
What is the InChIKey of 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BVTZXEVYMYHUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-12(2)16-8-9-17(24-16)19-22-18(21)15-11-14(25-20(15)23-19)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23).
What are the key properties of 6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 349.46 g/mol, XLogP of 5.25, 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-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45274227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).