2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine

C7H6N4OS — CID 106928161

IUPAC2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESNc1ccnc(Sc2ncco2)n1
InChIInChI=1S/C7H6N4OS/c8-5-1-2-9-6(11-5)13-7-10-3-4-12-7/h1-4H,(H2,8,9,11)
InChIKeyMTTNNVMAQMUYJG-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.20
Rot. Bonds2

About 2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine

2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine (PubChem CID 106928161) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine
PubChem CID106928161
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC Name2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESNc1ccnc(Sc2ncco2)n1
InChIInChI=1S/C7H6N4OS/c8-5-1-2-9-6(11-5)13-7-10-3-4-12-7/h1-4H,(H2,8,9,11)
InChIKeyMTTNNVMAQMUYJG-UHFFFAOYSA-N
XLogP1.20
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide
CID 136678514
2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 116798176
2-pyridin-4-ylsulfanylpyrimidin-4-amine
CID 116798308
2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole
CID 172684469
5-(1,3-oxazol-2-ylsulfanyl)pyrazin-2-amine
CID 106928163
2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole
CID 106898503
2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 116798231
3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921442
6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928339
2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
CID 116798270
5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921307
2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 116798322

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine (CID 106928161) is 2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine is Nc1ccnc(Sc2ncco2)n1.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is MTTNNVMAQMUYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS/c8-5-1-2-9-6(11-5)13-7-10-3-4-12-7/h1-4H,(H2,8,9,11).
What are the key properties of 2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine?
2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 194.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 106928161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).