2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C14H14N4OS — CID 3234897

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCc1noc(C)c1-c1nccc(NCc2cccs2)n1
InChIInChI=1S/C14H14N4OS/c1-9-13(10(2)19-18-9)14-15-6-5-12(17-14)16-8-11-4-3-7-20-11/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyZSJXBFMHSSEYIW-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.42
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 3234897) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID3234897
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCc1noc(C)c1-c1nccc(NCc2cccs2)n1
InChIInChI=1S/C14H14N4OS/c1-9-13(10(2)19-18-9)14-15-6-5-12(17-14)16-8-11-4-3-7-20-11/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyZSJXBFMHSSEYIW-UHFFFAOYSA-N
XLogP3.42
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 3234897) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is Cc1noc(C)c1-c1nccc(NCc2cccs2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZSJXBFMHSSEYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-13(10(2)19-18-9)14-15-6-5-12(17-14)16-8-11-4-3-7-20-11/h3-7H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 286.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3234897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).