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

C16H16N4OS — CID 45136852

IUPAC6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccco2)nc2sc(CN3CC=CCC3)cc12
InChIInChI=1S/C16H16N4OS/c17-14-12-9-11(10-20-6-2-1-3-7-20)22-16(12)19-15(18-14)13-5-4-8-21-13/h1-2,4-5,8-9H,3,6-7,10H2,(H2,17,18,19)
InChIKeyDHPWIFQARXXGQJ-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.30
Rot. Bonds3

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

6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45136852) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45136852
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccco2)nc2sc(CN3CC=CCC3)cc12
InChIInChI=1S/C16H16N4OS/c17-14-12-9-11(10-20-6-2-1-3-7-20)22-16(12)19-15(18-14)13-5-4-8-21-13/h1-2,4-5,8-9H,3,6-7,10H2,(H2,17,18,19)
InChIKeyDHPWIFQARXXGQJ-UHFFFAOYSA-N
XLogP3.30
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.30
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-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45136852) is 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2ccco2)nc2sc(CN3CC=CCC3)cc12.
What is the InChIKey of 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DHPWIFQARXXGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c17-14-12-9-11(10-20-6-2-1-3-7-20)22-16(12)19-15(18-14)13-5-4-8-21-13/h1-2,4-5,8-9H,3,6-7,10H2,(H2,17,18,19).
What are the key properties of 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 312.40 g/mol, XLogP of 3.30, 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-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45136852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).