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

C17H15N5OS — CID 45274518

IUPAC2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(c1ccccn1)c1cc2c(N)nc(-c3ncco3)nc2s1
InChIInChI=1S/C17H15N5OS/c1-17(2,11-5-3-4-6-19-11)12-9-10-13(18)21-14(22-16(10)24-12)15-20-7-8-23-15/h3-9H,1-2H3,(H2,18,21,22)
InChIKeyGFDLEDUKIXSIRM-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.65
Rot. Bonds3

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

2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45274518) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45274518
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(c1ccccn1)c1cc2c(N)nc(-c3ncco3)nc2s1
InChIInChI=1S/C17H15N5OS/c1-17(2,11-5-3-4-6-19-11)12-9-10-13(18)21-14(22-16(10)24-12)15-20-7-8-23-15/h3-9H,1-2H3,(H2,18,21,22)
InChIKeyGFDLEDUKIXSIRM-UHFFFAOYSA-N
XLogP3.65
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45274518) is 2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine is CC(C)(c1ccccn1)c1cc2c(N)nc(-c3ncco3)nc2s1.
What is the InChIKey of 2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GFDLEDUKIXSIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-17(2,11-5-3-4-6-19-11)12-9-10-13(18)21-14(22-16(10)24-12)15-20-7-8-23-15/h3-9H,1-2H3,(H2,18,21,22).
What are the key properties of 2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 337.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45274518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).