5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine

C10H15N3S — CID 45094927

IUPAC5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine
SMILESC=CCSc1nc(N)nc(C)c1CC
InChIInChI=1S/C10H15N3S/c1-4-6-14-9-8(5-2)7(3)12-10(11)13-9/h4H,1,5-6H2,2-3H3,(H2,11,12,13)
InChIKeyUSXNYHVGQVVQJY-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.21
Rot. Bonds4

About 5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine

5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine (PubChem CID 45094927) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine
PubChem CID45094927
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine
SMILESC=CCSc1nc(N)nc(C)c1CC
InChIInChI=1S/C10H15N3S/c1-4-6-14-9-8(5-2)7(3)12-10(11)13-9/h4H,1,5-6H2,2-3H3,(H2,11,12,13)
InChIKeyUSXNYHVGQVVQJY-UHFFFAOYSA-N
XLogP2.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine (CID 45094927) is 5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine is C=CCSc1nc(N)nc(C)c1CC.
What is the InChIKey of 5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine?
The InChIKey is USXNYHVGQVVQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-4-6-14-9-8(5-2)7(3)12-10(11)13-9/h4H,1,5-6H2,2-3H3,(H2,11,12,13).
What are the key properties of 5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine?
5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine has a molecular weight of 209.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 45094927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).