4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine

C8H11N5S — CID 719036

IUPAC4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCSC1=NN1c1cc(C)nc(N)n1
InChIInChI=1S/C8H11N5S/c1-3-14-8-12-13(8)6-4-5(2)10-7(9)11-6/h4H,3H2,1-2H3,(H2,9,10,11)
InChIKeyJKPNVSUBOIPUON-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.21
Rot. Bonds2

About 4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine

4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 719036) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID719036
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCSC1=NN1c1cc(C)nc(N)n1
InChIInChI=1S/C8H11N5S/c1-3-14-8-12-13(8)6-4-5(2)10-7(9)11-6/h4H,3H2,1-2H3,(H2,9,10,11)
InChIKeyJKPNVSUBOIPUON-UHFFFAOYSA-N
XLogP1.21
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl {[1-(2-amino-6-methylpyrimidin-4-yl)-1H-diaziren-3-yl]sulfanyl}acetate
CID 719092
4-Pyrimidinamine, 2-((1-methylethyl)thio)-N,N,6-trimethyl-
CID 660772
Guanidine, ((2-amino-6-methyl-4-pyrimidinyl)amino)-
CID 35798
Guanidine, 1,1'-((6-methylpyrimidine-2,4-diyl)diimino)di-
CID 35806
4-Pyrimidinamine, 2,2'-(1,4-butanediylbis(thio))bis(6-methyl-
CID 13285559
(2-Hydrazinyl-6-methylpyrimidin-4-yl)hydrazine
CID 52796
2-Amino-4-hydrazino-6-methylpyrimidine
CID 352688
4-Hydrazino-6-methyl-2-(methylthio)pyrimidine
CID 598437
4-Methyl-6-[3-(methylsulfanyl)-1H-diazirin-1-YL]pyrimidin-2-amine
CID 6620942
4-Azido-6-methyl-2-methylsulfanylpyrimidine
CID 85778532
5-Ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine
CID 1091696
2-{[3-(Dimethylamino)propyl]sulfanyl}-6-methylpyrimidin-4-amine
CID 3313796

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine (CID 719036) is 4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine is CCSC1=NN1c1cc(C)nc(N)n1.
What is the InChIKey of 4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is JKPNVSUBOIPUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-3-14-8-12-13(8)6-4-5(2)10-7(9)11-6/h4H,3H2,1-2H3,(H2,9,10,11).
What are the key properties of 4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine?
4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 209.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 719036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).