2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine

C15H13N3OS — CID 80869548

IUPAC2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine
SMILESCSc1nc(N)cc(Oc2cccc3ccccc23)n1
InChIInChI=1S/C15H13N3OS/c1-20-15-17-13(16)9-14(18-15)19-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,16,17,18)
InChIKeyPPTNAAQYYSJYRS-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.73
Rot. Bonds3

About 2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine

2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine (PubChem CID 80869548) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine
PubChem CID80869548
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine
SMILESCSc1nc(N)cc(Oc2cccc3ccccc23)n1
InChIInChI=1S/C15H13N3OS/c1-20-15-17-13(16)9-14(18-15)19-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,16,17,18)
InChIKeyPPTNAAQYYSJYRS-UHFFFAOYSA-N
XLogP3.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol
CID 80879243
6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80875016
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
2-chloro-6-naphthalen-1-yloxypyridin-4-amine
CID 56990425
1-[5-methyl-1-(2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-yl)pyrazol-4-yl]ethanone
CID 985863
[3-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol
CID 80872360
6-(4-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80862473
4-chloro-2-methyl-6-naphthalen-1-yloxypyrimidine
CID 62482714
2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241191
4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine
CID 80916183
2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide
CID 114768114
6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80864015

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine (CID 80869548) is 2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine is CSc1nc(N)cc(Oc2cccc3ccccc23)n1.
What is the InChIKey of 2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine?
The InChIKey is PPTNAAQYYSJYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-20-15-17-13(16)9-14(18-15)19-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine?
2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine has a molecular weight of 283.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine is sourced from PubChem (CID 80869548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).