6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine

C13H14FN3S — CID 66072317

IUPAC6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCc1cc(N)nc(CSc2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3S/c1-2-10-7-12(15)17-13(16-10)8-18-11-5-3-4-9(14)6-11/h3-7H,2,8H2,1H3,(H2,15,16,17)
InChIKeyVOHXMLMWKTUCLA-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.05
Rot. Bonds4

About 6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine

6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 66072317) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID66072317
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCc1cc(N)nc(CSc2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3S/c1-2-10-7-12(15)17-13(16-10)8-18-11-5-3-4-9(14)6-11/h3-7H,2,8H2,1H3,(H2,15,16,17)
InChIKeyVOHXMLMWKTUCLA-UHFFFAOYSA-N
XLogP3.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine
CID 66073080
6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66087798
2-[(3-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66305382
6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66088954
4-amino-2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidine-5-carboxamide
CID 116648127
1-[2-[(3-fluorophenyl)sulfanylmethyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 66071908
[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
CID 66146872
1-[2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-5-yl]butan-2-amine
CID 66071499
N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethylpyrimidin-4-amine
CID 66070669
2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 66146663
2-[(3-fluorophenyl)sulfanylmethyl]-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 66071084
[6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66072321

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine (CID 66072317) is 6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine is CCc1cc(N)nc(CSc2cccc(F)c2)n1.
What is the InChIKey of 6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is VOHXMLMWKTUCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-2-10-7-12(15)17-13(16-10)8-18-11-5-3-4-9(14)6-11/h3-7H,2,8H2,1H3,(H2,15,16,17).
What are the key properties of 6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine?
6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 66072317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).