6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine

C13H14FN3S — CID 80894171

IUPAC6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1Sc1cccc(F)c1
InChIInChI=1S/C13H14FN3S/c1-8(2)11-12(15)16-7-17-13(11)18-10-5-3-4-9(14)6-10/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyRRDPCXHZCWYSAG-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.47
Rot. Bonds3

About 6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine

6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80894171) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80894171
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1Sc1cccc(F)c1
InChIInChI=1S/C13H14FN3S/c1-8(2)11-12(15)16-7-17-13(11)18-10-5-3-4-9(14)6-10/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyRRDPCXHZCWYSAG-UHFFFAOYSA-N
XLogP3.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995276
6-fluoro-4-(3-fluorophenyl)sulfanylquinazoline
CID 133429642
3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine
CID 114073919
[6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80926034
6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80891671
5-bromo-N-ethyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 114073920
4-chloro-6-phenylsulfanyl-5-propan-2-ylpyrimidine
CID 55229898
6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80886693
6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80889045
2-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 116798311
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80884389

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine (CID 80894171) is 6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(N)ncnc1Sc1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is RRDPCXHZCWYSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-8(2)11-12(15)16-7-17-13(11)18-10-5-3-4-9(14)6-10/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine?
6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80894171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).