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

C14H16FN3S — CID 80995276

IUPAC6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1Sc1cccc(F)c1
InChIInChI=1S/C14H16FN3S/c1-8(2)13-17-12(16)9(3)14(18-13)19-11-6-4-5-10(15)7-11/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyAUURRBRJYNWYLR-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.78
Rot. Bonds3

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

6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80995276) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80995276
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1Sc1cccc(F)c1
InChIInChI=1S/C14H16FN3S/c1-8(2)13-17-12(16)9(3)14(18-13)19-11-6-4-5-10(15)7-11/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyAUURRBRJYNWYLR-UHFFFAOYSA-N
XLogP3.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995868
5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80991093
6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80975741
6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80894171
5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80989981
3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine
CID 114073919
2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885765
N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80991106
[6-(2,4-difluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000644
6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine
CID 80995348
6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977226
2-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 116798311

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80995276) is 6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1Sc1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is AUURRBRJYNWYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-8(2)13-17-12(16)9(3)14(18-13)19-11-6-4-5-10(15)7-11/h4-8H,1-3H3,(H2,16,17,18).
What are the key properties of 6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 3.78, 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-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80995276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).