6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine

C14H13N5OS — CID 45278622

IUPAC6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cocn2)nc2sc(CN3CC=CC3)cc12
InChIInChI=1S/C14H13N5OS/c15-12-10-5-9(6-19-3-1-2-4-19)21-14(10)18-13(17-12)11-7-20-8-16-11/h1-2,5,7-8H,3-4,6H2,(H2,15,17,18)
InChIKeyPLGPALCZLDUTJN-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.30
Rot. Bonds3

About 6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine

6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45278622) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45278622
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cocn2)nc2sc(CN3CC=CC3)cc12
InChIInChI=1S/C14H13N5OS/c15-12-10-5-9(6-19-3-1-2-4-19)21-14(10)18-13(17-12)11-7-20-8-16-11/h1-2,5,7-8H,3-4,6H2,(H2,15,17,18)
InChIKeyPLGPALCZLDUTJN-UHFFFAOYSA-N
XLogP2.30
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.30
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-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45278622) is 6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2cocn2)nc2sc(CN3CC=CC3)cc12.
What is the InChIKey of 6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PLGPALCZLDUTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c15-12-10-5-9(6-19-3-1-2-4-19)21-14(10)18-13(17-12)11-7-20-8-16-11/h1-2,5,7-8H,3-4,6H2,(H2,15,17,18).
What are the key properties of 6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydropyrrol-1-ylmethyl)-2-(1,3-oxazol-4-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45278622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).