4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C13H15FN4OS — CID 80855114

IUPAC4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc(OC)ccc2F)nc(SC)n1
InChIInChI=1S/C13H15FN4OS/c1-15-11-7-12(18-13(17-11)20-3)16-10-6-8(19-2)4-5-9(10)14/h4-7H,1-3H3,(H2,15,16,17,18)
InChIKeyJDWBQZPLYKVSPF-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.13
Rot. Bonds5

About 4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80855114) has the molecular formula C13H15FN4OS and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80855114
Molecular FormulaC13H15FN4OS
Molecular Weight294.36 g/mol
Exact Mass294.10
IUPAC Name4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc(OC)ccc2F)nc(SC)n1
InChIInChI=1S/C13H15FN4OS/c1-15-11-7-12(18-13(17-11)20-3)16-10-6-8(19-2)4-5-9(10)14/h4-7H,1-3H3,(H2,15,16,17,18)
InChIKeyJDWBQZPLYKVSPF-UHFFFAOYSA-N
XLogP3.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine
CID 80647697
4-N-(2-chloro-5-methoxyphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80791950
4-N-(4-fluoro-2-methylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80761583
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80906036
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80920038
4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80761115
4-N-(3-chloro-2-fluorophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80755526
4-chloro-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]benzonitrile
CID 80840258
4-N-(2-bromo-5-methylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 82759582
4-N-(2-bromo-4-methylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80768997
4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80944386
8-N-(2-fluoro-5-methoxyphenyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80839755

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80855114) is 4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(Nc2cc(OC)ccc2F)nc(SC)n1.
What is the InChIKey of 4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is JDWBQZPLYKVSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4OS/c1-15-11-7-12(18-13(17-11)20-3)16-10-6-8(19-2)4-5-9(10)14/h4-7H,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 294.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80855114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).