3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C14H16N4OS — CID 72843459

IUPAC3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCC(Nc1nc(C)nc2onc(C)c12)c1cccs1
InChIInChI=1S/C14H16N4OS/c1-4-10(11-6-5-7-20-11)17-13-12-8(2)18-19-14(12)16-9(3)15-13/h5-7,10H,4H2,1-3H3,(H,15,16,17)
InChIKeyYWKSACHLFNGKGR-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.86
Rot. Bonds4

About 3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 72843459) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID72843459
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCC(Nc1nc(C)nc2onc(C)c12)c1cccs1
InChIInChI=1S/C14H16N4OS/c1-4-10(11-6-5-7-20-11)17-13-12-8(2)18-19-14(12)16-9(3)15-13/h5-7,10H,4H2,1-3H3,(H,15,16,17)
InChIKeyYWKSACHLFNGKGR-UHFFFAOYSA-N
XLogP3.86
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 72843459) is 3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CCC(Nc1nc(C)nc2onc(C)c12)c1cccs1.
What is the InChIKey of 3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is YWKSACHLFNGKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-4-10(11-6-5-7-20-11)17-13-12-8(2)18-19-14(12)16-9(3)15-13/h5-7,10H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 288.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(1-thiophen-2-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72843459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).