6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine

C17H20N4OS — CID 45279545

IUPAC6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccco2)nc2sc(CNC3CCCCC3)cc12
InChIInChI=1S/C17H20N4OS/c18-15-13-9-12(10-19-11-5-2-1-3-6-11)23-17(13)21-16(20-15)14-7-4-8-22-14/h4,7-9,11,19H,1-3,5-6,10H2,(H2,18,20,21)
InChIKeyIEJJEPFSVOJDJL-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.96
Rot. Bonds4

About 6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45279545) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45279545
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccco2)nc2sc(CNC3CCCCC3)cc12
InChIInChI=1S/C17H20N4OS/c18-15-13-9-12(10-19-11-5-2-1-3-6-11)23-17(13)21-16(20-15)14-7-4-8-22-14/h4,7-9,11,19H,1-3,5-6,10H2,(H2,18,20,21)
InChIKeyIEJJEPFSVOJDJL-UHFFFAOYSA-N
XLogP3.96
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45279545) is 6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2ccco2)nc2sc(CNC3CCCCC3)cc12.
What is the InChIKey of 6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IEJJEPFSVOJDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c18-15-13-9-12(10-19-11-5-2-1-3-6-11)23-17(13)21-16(20-15)14-7-4-8-22-14/h4,7-9,11,19H,1-3,5-6,10H2,(H2,18,20,21).
What are the key properties of 6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 328.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclohexylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45279545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).