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

C13H15N3S — CID 80886105

IUPACN,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2ccccc2C)c1C
InChIInChI=1S/C13H15N3S/c1-9-6-4-5-7-11(9)17-13-10(2)12(14-3)15-8-16-13/h4-8H,1-3H3,(H,14,15,16)
InChIKeyJKSHVYHLRNBXBT-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.29
Rot. Bonds3

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

N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine (PubChem CID 80886105) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
PubChem CID80886105
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2ccccc2C)c1C
InChIInChI=1S/C13H15N3S/c1-9-6-4-5-7-11(9)17-13-10(2)12(14-3)15-8-16-13/h4-8H,1-3H3,(H,14,15,16)
InChIKeyJKSHVYHLRNBXBT-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

N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885549
N,5-dimethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-amine
CID 80884707
N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80889914
6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80891996
6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80873139
N,5-dimethyl-6-(4-nitrophenyl)sulfanylpyrimidin-4-amine
CID 80883862
6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80882227
N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892356
N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894498
5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80886646
N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine
CID 80882858
4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine
CID 63730614

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine (CID 80886105) is N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine is CNc1ncnc(Sc2ccccc2C)c1C.
What is the InChIKey of N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine?
The InChIKey is JKSHVYHLRNBXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-6-4-5-7-11(9)17-13-10(2)12(14-3)15-8-16-13/h4-8H,1-3H3,(H,14,15,16).
What are the key properties of N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine?
N,5-dimethyl-6-(2-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,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80886105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).