6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine

C13H15N3O2S — CID 119063934

IUPAC6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1cccc(OC)c1-c1cc(N)nc(SC)n1
InChIInChI=1S/C13H15N3O2S/c1-17-9-5-4-6-10(18-2)12(9)8-7-11(14)16-13(15-8)19-3/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyATNQRCGVOGEORP-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.46
Rot. Bonds4

About 6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine

6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 119063934) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID119063934
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1cccc(OC)c1-c1cc(N)nc(SC)n1
InChIInChI=1S/C13H15N3O2S/c1-17-9-5-4-6-10(18-2)12(9)8-7-11(14)16-13(15-8)19-3/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyATNQRCGVOGEORP-UHFFFAOYSA-N
XLogP2.46
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,6-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716908
2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 58513228
2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80869548
6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 82811355
6-(5-fluoro-2-methoxyphenyl)pyridin-2-amine
CID 61026023
6-(2,6-dimethoxyphenyl)pyridin-3-amine
CID 83918397
2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine
CID 116811184
4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine
CID 39819500
3,5-dichloro-6-(2,6-dimethoxyphenyl)pyridin-2-amine
CID 102753973
6-(2-fluoro-3-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 82811627
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899
6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80875016

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine (CID 119063934) is 6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine is COc1cccc(OC)c1-c1cc(N)nc(SC)n1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is ATNQRCGVOGEORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-17-9-5-4-6-10(18-2)12(9)8-7-11(14)16-13(15-8)19-3/h4-7H,1-3H3,(H2,14,15,16).
What are the key properties of 6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine?
6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 277.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 119063934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).