2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine

C13H15N3S — CID 80885765

IUPAC2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
SMILESCc1cccc(Sc2nc(C)nc(N)c2C)c1
InChIInChI=1S/C13H15N3S/c1-8-5-4-6-11(7-8)17-13-9(2)12(14)15-10(3)16-13/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyZVDSCFLDYHZOQB-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.14
Rot. Bonds2

About 2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine

2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine (PubChem CID 80885765) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
PubChem CID80885765
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
SMILESCc1cccc(Sc2nc(C)nc(N)c2C)c1
InChIInChI=1S/C13H15N3S/c1-8-5-4-6-11(7-8)17-13-9(2)12(14)15-10(3)16-13/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyZVDSCFLDYHZOQB-UHFFFAOYSA-N
XLogP3.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine
CID 80995348
6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995276
4-chloro-5-methyl-6-(3-methylphenyl)sulfanylpyrimidine
CID 63732712
6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334621
N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80991106
2-tert-butyl-N,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80989901
3-methyl-5-(3-methylphenyl)sulfanylaniline
CID 112648769
2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80892419
1-[2-(3-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63818522
N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885675
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine (CID 80885765) is 2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine is Cc1cccc(Sc2nc(C)nc(N)c2C)c1.
What is the InChIKey of 2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine?
The InChIKey is ZVDSCFLDYHZOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-8-5-4-6-11(7-8)17-13-9(2)12(14)15-10(3)16-13/h4-7H,1-3H3,(H2,14,15,16).
What are the key properties of 2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine?
2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine has a molecular weight of 245.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80885765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).