N-methyl-6-methylsulfanylpyrimidin-4-amine

C6H9N3S — CID 79006689

IUPACN-methyl-6-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(SC)ncn1
InChIInChI=1S/C6H9N3S/c1-7-5-3-6(10-2)9-4-8-5/h3-4H,1-2H3,(H,7,8,9)
InChIKeyJRJWQRVOKXUXNY-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.24
Rot. Bonds2

About N-methyl-6-methylsulfanylpyrimidin-4-amine

N-methyl-6-methylsulfanylpyrimidin-4-amine (PubChem CID 79006689) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is N-methyl-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-methylsulfanylpyrimidin-4-amine
PubChem CID79006689
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC NameN-methyl-6-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(SC)ncn1
InChIInChI=1S/C6H9N3S/c1-7-5-3-6(10-2)9-4-8-5/h3-4H,1-2H3,(H,7,8,9)
InChIKeyJRJWQRVOKXUXNY-UHFFFAOYSA-N
XLogP1.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-methylsulfanylpyrimidin-4-amine (CID 79006689) is N-methyl-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-methylsulfanylpyrimidin-4-amine is CNc1cc(SC)ncn1.
What is the InChIKey of N-methyl-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is JRJWQRVOKXUXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-7-5-3-6(10-2)9-4-8-5/h3-4H,1-2H3,(H,7,8,9).
What are the key properties of N-methyl-6-methylsulfanylpyrimidin-4-amine?
N-methyl-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 155.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 79006689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).