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

C15H15N5OS — CID 90668276

IUPAC6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ncco2)nc2sc(CN3CC=CCC3)cc12
InChIInChI=1S/C15H15N5OS/c16-12-11-8-10(9-20-5-2-1-3-6-20)22-15(11)19-13(18-12)14-17-4-7-21-14/h1-2,4,7-8H,3,5-6,9H2,(H2,16,18,19)
InChIKeySHKCYAQXYCFAIU-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.69
Rot. Bonds3

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

6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 90668276) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID90668276
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ncco2)nc2sc(CN3CC=CCC3)cc12
InChIInChI=1S/C15H15N5OS/c16-12-11-8-10(9-20-5-2-1-3-6-20)22-15(11)19-13(18-12)14-17-4-7-21-14/h1-2,4,7-8H,3,5-6,9H2,(H2,16,18,19)
InChIKeySHKCYAQXYCFAIU-UHFFFAOYSA-N
XLogP2.69
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 90668276) is 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2ncco2)nc2sc(CN3CC=CCC3)cc12.
What is the InChIKey of 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SHKCYAQXYCFAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c16-12-11-8-10(9-20-5-2-1-3-6-20)22-15(11)19-13(18-12)14-17-4-7-21-14/h1-2,4,7-8H,3,5-6,9H2,(H2,16,18,19).
What are the key properties of 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 313.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 90668276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).