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

C13H15N3S — CID 80885675

IUPACN,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
SMILESCNc1cc(Sc2cccc(C)c2)nc(C)n1
InChIInChI=1S/C13H15N3S/c1-9-5-4-6-11(7-9)17-13-8-12(14-3)15-10(2)16-13/h4-8H,1-3H3,(H,14,15,16)
InChIKeyDEYTYXQWYLIWGT-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.29
Rot. Bonds3

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

N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine (PubChem CID 80885675) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
PubChem CID80885675
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
SMILESCNc1cc(Sc2cccc(C)c2)nc(C)n1
InChIInChI=1S/C13H15N3S/c1-9-5-4-6-11(7-9)17-13-8-12(14-3)15-10(2)16-13/h4-8H,1-3H3,(H,14,15,16)
InChIKeyDEYTYXQWYLIWGT-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-tert-butylphenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80893059
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine
CID 80893061
N-methyl-3-(3-methylphenyl)sulfanylaniline
CID 117033152
N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80886717
6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80884617
[6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine
CID 80923478
6-(3-chlorophenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80892292
6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80893816
6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
CID 80889647
N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80888102
6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80885590
6-(1H-benzimidazol-2-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine
CID 80883058

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine (CID 80885675) is N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine is CNc1cc(Sc2cccc(C)c2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine?
The InChIKey is DEYTYXQWYLIWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-5-4-6-11(7-9)17-13-8-12(14-3)15-10(2)16-13/h4-8H,1-3H3,(H,14,15,16).
What are the key properties of N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine?
N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine has a molecular weight of 245.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80885675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).