5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine

C13H15N3S — CID 80887845

IUPAC5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Sc1ccccc1
InChIInChI=1S/C13H15N3S/c1-3-11-12(14-2)15-9-16-13(11)17-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeyZIIXVKYLQIXZKA-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.23
Rot. Bonds4

About 5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine

5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine (PubChem CID 80887845) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
PubChem CID80887845
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Sc1ccccc1
InChIInChI=1S/C13H15N3S/c1-3-11-12(14-2)15-9-16-13(11)17-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeyZIIXVKYLQIXZKA-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80891542
6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80890612
6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 103291539
6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80885129
5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80888515
2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80884568
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
CID 80891845
5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine
CID 143274500
6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80894668
3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890303
6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine
CID 80887870
4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine
CID 19149700

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine (CID 80887845) is 5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine is CCc1c(NC)ncnc1Sc1ccccc1.
What is the InChIKey of 5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine?
The InChIKey is ZIIXVKYLQIXZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-3-11-12(14-2)15-9-16-13(11)17-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine?
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine has a molecular weight of 245.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80887845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).