6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine

C11H12N4S — CID 11096469

IUPAC6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine
SMILESCc1ccc(Sc2cc(N)nc(N)n2)cc1
InChIInChI=1S/C11H12N4S/c1-7-2-4-8(5-3-7)16-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H4,12,13,14,15)
InChIKeyHJJXDVNITYURLZ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.10
Rot. Bonds2

About 6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine

6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine (PubChem CID 11096469) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine
PubChem CID11096469
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine
SMILESCc1ccc(Sc2cc(N)nc(N)n2)cc1
InChIInChI=1S/C11H12N4S/c1-7-2-4-8(5-3-7)16-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H4,12,13,14,15)
InChIKeyHJJXDVNITYURLZ-UHFFFAOYSA-N
XLogP2.10
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine (CID 11096469) is 6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine is Cc1ccc(Sc2cc(N)nc(N)n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine?
The InChIKey is HJJXDVNITYURLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-7-2-4-8(5-3-7)16-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H4,12,13,14,15).
What are the key properties of 6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine?
6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine has a molecular weight of 232.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 11096469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).