6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine

C12H12FN3OS — CID 113401710

IUPAC6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(N)cc(Sc2ccccc2F)n1
InChIInChI=1S/C12H12FN3OS/c1-17-7-11-15-10(14)6-12(16-11)18-9-5-3-2-4-8(9)13/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyFIYOYESSEYIZHJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.50
Rot. Bonds4

About 6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine

6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 113401710) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID113401710
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(N)cc(Sc2ccccc2F)n1
InChIInChI=1S/C12H12FN3OS/c1-17-7-11-15-10(14)6-12(16-11)18-9-5-3-2-4-8(9)13/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyFIYOYESSEYIZHJ-UHFFFAOYSA-N
XLogP2.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401699
2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 113401730
2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765753
6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine
CID 114734919
4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine
CID 80945968
4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine
CID 47159001
6-bromo-2-(2-fluorophenyl)sulfanylpyrimidin-4-amine
CID 116798140
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 66299180
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302611
4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
CID 107669821
[2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552247
6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720288

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine (CID 113401710) is 6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(N)cc(Sc2ccccc2F)n1.
What is the InChIKey of 6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is FIYOYESSEYIZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-17-7-11-15-10(14)6-12(16-11)18-9-5-3-2-4-8(9)13/h2-6H,7H2,1H3,(H2,14,15,16).
What are the key properties of 6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine?
6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 265.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 113401710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).