6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine

C6H8ClN3S — CID 1488171

IUPAC6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Cl)nc(SC)n1
InChIInChI=1S/C6H8ClN3S/c1-8-5-3-4(7)9-6(10-5)11-2/h3H,1-2H3,(H,8,9,10)
InChIKeyNHJWXOKUEKCRKF-UHFFFAOYSA-N
MW189.67 g/mol
LogP1.89
Rot. Bonds2

About 6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 1488171) has the molecular formula C6H8ClN3S and a molecular weight of 189.67 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID1488171
Molecular FormulaC6H8ClN3S
Molecular Weight189.67 g/mol
Exact Mass189.01
IUPAC Name6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Cl)nc(SC)n1
InChIInChI=1S/C6H8ClN3S/c1-8-5-3-4(7)9-6(10-5)11-2/h3H,1-2H3,(H,8,9,10)
InChIKeyNHJWXOKUEKCRKF-UHFFFAOYSA-N
XLogP1.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 1488171) is 6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1cc(Cl)nc(SC)n1.
What is the InChIKey of 6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is NHJWXOKUEKCRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3S/c1-8-5-3-4(7)9-6(10-5)11-2/h3H,1-2H3,(H,8,9,10).
What are the key properties of 6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 189.67 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 1488171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).