5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

C12H11N5OS — CID 69053199

IUPAC5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2cc(-c3cccs3)no2)c(N)n1
InChIInChI=1S/C12H11N5OS/c13-11-7(6-15-12(14)16-11)4-8-5-9(17-18-8)10-2-1-3-19-10/h1-3,5-6H,4H2,(H4,13,14,15,16)
InChIKeyUIQPTEFZLBNYCP-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.95
Rot. Bonds3

About 5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 69053199) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID69053199
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2cc(-c3cccs3)no2)c(N)n1
InChIInChI=1S/C12H11N5OS/c13-11-7(6-15-12(14)16-11)4-8-5-9(17-18-8)10-2-1-3-19-10/h1-3,5-6H,4H2,(H4,13,14,15,16)
InChIKeyUIQPTEFZLBNYCP-UHFFFAOYSA-N
XLogP1.95
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole
CID 10527502
5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole
CID 102110954
3-thiophen-2-yl-1,2-oxazole-5-carboxamide
CID 776505
5-(dibenzo-p-dioxin-2-ylmethyl)pyrimidine-2,4-diamine
CID 627864
4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 28907981
5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole
CID 142647972
5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole
CID 10766519
5-thiophen-2-yl-2H-triazol-4-amine
CID 54057272
5-(2-fluorophenyl)-3-thiophen-2-yl-1,2-oxazole
CID 99964161
3-thiophen-2-ylisoquinolin-1-amine
CID 24955965
5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole
CID 22727358
5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine
CID 46954719

Frequently Asked Questions

What is the IUPAC name of 5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 69053199) is 5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is Nc1ncc(Cc2cc(-c3cccs3)no2)c(N)n1.
What is the InChIKey of 5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is UIQPTEFZLBNYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c13-11-7(6-15-12(14)16-11)4-8-5-9(17-18-8)10-2-1-3-19-10/h1-3,5-6H,4H2,(H4,13,14,15,16).
What are the key properties of 5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 273.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 69053199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).