6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine

C14H14N4OS — CID 80937330

IUPAC6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(Sc2nc3ccccc3o2)n1
InChIInChI=1S/C14H14N4OS/c1-3-11-17-12(15-2)8-13(18-11)20-14-16-9-6-4-5-7-10(9)19-14/h4-8H,3H2,1-2H3,(H,15,17,18)
InChIKeyOSZLUYOMYRZXLG-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.37
Rot. Bonds4

About 6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine

6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80937330) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine
PubChem CID80937330
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(Sc2nc3ccccc3o2)n1
InChIInChI=1S/C14H14N4OS/c1-3-11-17-12(15-2)8-13(18-11)20-14-16-9-6-4-5-7-10(9)19-14/h4-8H,3H2,1-2H3,(H,15,17,18)
InChIKeyOSZLUYOMYRZXLG-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzoxazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80893922
6-(1,3-benzothiazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80937180
2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
CID 80939312
6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
CID 80892797
4-(1,3-benzoxazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80893034
6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine
CID 80893597
2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole
CID 62483848
2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 80937261
1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine
CID 119085238
3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol
CID 64805790
2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80936663
2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylethanamine
CID 53211552

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine (CID 80937330) is 6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine is CCc1nc(NC)cc(Sc2nc3ccccc3o2)n1.
What is the InChIKey of 6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is OSZLUYOMYRZXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-3-11-17-12(15-2)8-13(18-11)20-14-16-9-6-4-5-7-10(9)19-14/h4-8H,3H2,1-2H3,(H,15,17,18).
What are the key properties of 6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine?
6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 286.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80937330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).