2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine

C13H14FN3S — CID 66065128

IUPAC2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3S/c1-9-7-12(15-2)17-13(16-9)8-18-11-5-3-10(14)4-6-11/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyNEHFJIMOCUNQLU-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.26
Rot. Bonds4

About 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine

2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 66065128) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID66065128
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3S/c1-9-7-12(15-2)17-13(16-9)8-18-11-5-3-10(14)4-6-11/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyNEHFJIMOCUNQLU-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66065324
2-[2-[(4-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine
CID 66066519
6-ethyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66066020
2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657940
2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66153137
N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine
CID 80654482
2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66064348
2-[(5-fluoro-2-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 102984950
2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654762
N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine
CID 80655256
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine
CID 20604303

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine (CID 66065128) is 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(CSc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is NEHFJIMOCUNQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-9-7-12(15-2)17-13(16-9)8-18-11-5-3-10(14)4-6-11/h3-7H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine?
2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66065128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).