6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

C17H18N4OS — CID 59276689

IUPAC6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(CN4CC=CCC4)sc3n2)o1
InChIInChI=1S/C17H18N4OS/c1-11-5-6-14(22-11)16-19-15(18)13-9-12(23-17(13)20-16)10-21-7-3-2-4-8-21/h2-3,5-6,9H,4,7-8,10H2,1H3,(H2,18,19,20)
InChIKeyGSCDOVZHCGRKMF-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.60
Rot. Bonds3

About 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 59276689) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID59276689
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(CN4CC=CCC4)sc3n2)o1
InChIInChI=1S/C17H18N4OS/c1-11-5-6-14(22-11)16-19-15(18)13-9-12(23-17(13)20-16)10-21-7-3-2-4-8-21/h2-3,5-6,9H,4,7-8,10H2,1H3,(H2,18,19,20)
InChIKeyGSCDOVZHCGRKMF-UHFFFAOYSA-N
XLogP3.60
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 59276689) is 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3cc(CN4CC=CCC4)sc3n2)o1.
What is the InChIKey of 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GSCDOVZHCGRKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-5-6-14(22-11)16-19-15(18)13-9-12(23-17(13)20-16)10-21-7-3-2-4-8-21/h2-3,5-6,9H,4,7-8,10H2,1H3,(H2,18,19,20).
What are the key properties of 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 326.43 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59276689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).