6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine

C15H18FN3OS — CID 107171734

IUPAC6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(C)c(F)c2)nc(SC)n1
InChIInChI=1S/C15H18FN3OS/c1-4-7-17-13-9-14(19-15(18-13)21-3)20-11-6-5-10(2)12(16)8-11/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyARHPMAMRSIWBIX-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.26
Rot. Bonds6

About 6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine

6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 107171734) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID107171734
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(C)c(F)c2)nc(SC)n1
InChIInChI=1S/C15H18FN3OS/c1-4-7-17-13-9-14(19-15(18-13)21-3)20-11-6-5-10(2)12(16)8-11/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyARHPMAMRSIWBIX-UHFFFAOYSA-N
XLogP4.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
CID 80879362
[4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80879432
6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80880525
6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80864389
6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 83145197
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 102989125
2-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80864961
2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80858727
2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877951
6-(1,3-benzodioxol-5-yloxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80874544
5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 107171785
6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 107287439

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine (CID 107171734) is 6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ccc(C)c(F)c2)nc(SC)n1.
What is the InChIKey of 6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is ARHPMAMRSIWBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-4-7-17-13-9-14(19-15(18-13)21-3)20-11-6-5-10(2)12(16)8-11/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 307.39 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 107171734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).