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

C10H15N5S — CID 1091696

IUPAC5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCSC1=NN1c1nc(N)nc(C)c1CC
InChIInChI=1S/C10H15N5S/c1-4-7-6(3)12-9(11)13-8(7)15-10(14-15)16-5-2/h4-5H2,1-3H3,(H2,11,12,13)
InChIKeyKQWXGWULLKFZFN-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.77
Rot. Bonds3

About 5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine

5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 1091696) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID1091696
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCSC1=NN1c1nc(N)nc(C)c1CC
InChIInChI=1S/C10H15N5S/c1-4-7-6(3)12-9(11)13-8(7)15-10(14-15)16-5-2/h4-5H2,1-3H3,(H2,11,12,13)
InChIKeyKQWXGWULLKFZFN-UHFFFAOYSA-N
XLogP1.77
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine (CID 1091696) is 5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine is CCSC1=NN1c1nc(N)nc(C)c1CC.
What is the InChIKey of 5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is KQWXGWULLKFZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-4-7-6(3)12-9(11)13-8(7)15-10(14-15)16-5-2/h4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of 5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine?
5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 237.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-ethylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 1091696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).