5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine

C9H15N3S — CID 62693645

IUPAC5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
SMILESCCc1c(C)nc(CSC)nc1N
InChIInChI=1S/C9H15N3S/c1-4-7-6(2)11-8(5-13-3)12-9(7)10/h4-5H2,1-3H3,(H2,10,11,12)
InChIKeyDVJQXQBSYGALTC-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.79
Rot. Bonds3

About 5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine

5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 62693645) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
PubChem CID62693645
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
SMILESCCc1c(C)nc(CSC)nc1N
InChIInChI=1S/C9H15N3S/c1-4-7-6(2)11-8(5-13-3)12-9(7)10/h4-5H2,1-3H3,(H2,10,11,12)
InChIKeyDVJQXQBSYGALTC-UHFFFAOYSA-N
XLogP1.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine (CID 62693645) is 5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine is CCc1c(C)nc(CSC)nc1N.
What is the InChIKey of 5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is DVJQXQBSYGALTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-4-7-6(2)11-8(5-13-3)12-9(7)10/h4-5H2,1-3H3,(H2,10,11,12).
What are the key properties of 5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine?
5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 197.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 62693645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).