2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine

C17H17N3S — CID 80939312

IUPAC2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(Sc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H17N3S/c1-3-15-19-16(18-2)11-17(20-15)21-14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyZYHZPFBJVHMMQM-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.39
Rot. Bonds4

About 2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine

2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80939312) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
PubChem CID80939312
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(Sc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H17N3S/c1-3-15-19-16(18-2)11-17(20-15)21-14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyZYHZPFBJVHMMQM-UHFFFAOYSA-N
XLogP4.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
CID 80939328
6-(1,3-benzothiazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80937180
N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
CID 80883966
6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80937330
N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine
CID 80942803
6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine
CID 80949638
2-ethyl-N-methyl-6-propylsulfanylpyrimidin-4-amine
CID 80937028
N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884550
[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
CID 80939919
2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
CID 80939308
2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 80937261
2-ethyl-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 80937646

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine (CID 80939312) is 2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine is CCc1nc(NC)cc(Sc2ccc3ccccc3c2)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is ZYHZPFBJVHMMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-3-15-19-16(18-2)11-17(20-15)21-14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine?
2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 295.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80939312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).