2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine

C10H18N4S — CID 80839670

IUPAC2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
SMILESCSCC(C)CNc1cc(N)nc(C)n1
InChIInChI=1S/C10H18N4S/c1-7(6-15-3)5-12-10-4-9(11)13-8(2)14-10/h4,7H,5-6H2,1-3H3,(H3,11,12,13,14)
InChIKeyOCTJUVHEVZOFPM-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.78
Rot. Bonds5

About 2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine

2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine (PubChem CID 80839670) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
PubChem CID80839670
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
SMILESCSCC(C)CNc1cc(N)nc(C)n1
InChIInChI=1S/C10H18N4S/c1-7(6-15-3)5-12-10-4-9(11)13-8(2)14-10/h4,7H,5-6H2,1-3H3,(H3,11,12,13,14)
InChIKeyOCTJUVHEVZOFPM-UHFFFAOYSA-N
XLogP1.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine (CID 80839670) is 2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine is CSCC(C)CNc1cc(N)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
The InChIKey is OCTJUVHEVZOFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7(6-15-3)5-12-10-4-9(11)13-8(2)14-10/h4,7H,5-6H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine has a molecular weight of 226.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80839670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).