N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine

C9H15N3S2 — CID 80888612

IUPACN-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine
SMILESCCCSc1cc(NC)nc(SC)n1
InChIInChI=1S/C9H15N3S2/c1-4-5-14-8-6-7(10-2)11-9(12-8)13-3/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyOXKZILGRGSNTJQ-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.74
Rot. Bonds5

About N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine

N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine (PubChem CID 80888612) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine
PubChem CID80888612
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC NameN-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine
SMILESCCCSc1cc(NC)nc(SC)n1
InChIInChI=1S/C9H15N3S2/c1-4-5-14-8-6-7(10-2)11-9(12-8)13-3/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyOXKZILGRGSNTJQ-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine (CID 80888612) is N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine is CCCSc1cc(NC)nc(SC)n1.
What is the InChIKey of N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine?
The InChIKey is OXKZILGRGSNTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-4-5-14-8-6-7(10-2)11-9(12-8)13-3/h6H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine?
N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine has a molecular weight of 229.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80888612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).