N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine

C14H17N3S — CID 80885549

IUPACN-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2ccccc2C)c1C
InChIInChI=1S/C14H17N3S/c1-4-15-13-11(3)14(17-9-16-13)18-12-8-6-5-7-10(12)2/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyXKHWFJAZSGHAGC-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.68
Rot. Bonds4

About N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine

N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine (PubChem CID 80885549) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
PubChem CID80885549
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2ccccc2C)c1C
InChIInChI=1S/C14H17N3S/c1-4-15-13-11(3)14(17-9-16-13)18-12-8-6-5-7-10(12)2/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyXKHWFJAZSGHAGC-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80886105
N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine
CID 80887110
6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80873139
N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80885461
4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine
CID 63730614
N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886545
6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
CID 80864229
6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80888128
N-ethyl-6-(2-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80884434
5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80886646
N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894880
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80893146

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine (CID 80885549) is N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine is CCNc1ncnc(Sc2ccccc2C)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine?
The InChIKey is XKHWFJAZSGHAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-4-15-13-11(3)14(17-9-16-13)18-12-8-6-5-7-10(12)2/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine?
N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine has a molecular weight of 259.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80885549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).