5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine

C12H11BrFN3S — CID 66301835

IUPAC5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine
SMILESCNc1nc(CSc2ccccc2F)ncc1Br
InChIInChI=1S/C12H11BrFN3S/c1-15-12-8(13)6-16-11(17-12)7-18-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyLPZUYCSKJAURPX-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.71
Rot. Bonds4

About 5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine

5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine (PubChem CID 66301835) has the molecular formula C12H11BrFN3S and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine
PubChem CID66301835
Molecular FormulaC12H11BrFN3S
Molecular Weight328.21 g/mol
Exact Mass326.98
IUPAC Name5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine
SMILESCNc1nc(CSc2ccccc2F)ncc1Br
InChIInChI=1S/C12H11BrFN3S/c1-15-12-8(13)6-16-11(17-12)7-18-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyLPZUYCSKJAURPX-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306504
5-bromo-N-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66302652
5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 66302466
[2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine
CID 114245147
3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 66083854
2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472183
[6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63221859
5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66305665
N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66051754
2-[(2-bromophenyl)sulfanylmethyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307296
5-bromo-4-(2-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884178
5-bromo-N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66304099

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine (CID 66301835) is 5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine is CNc1nc(CSc2ccccc2F)ncc1Br.
What is the InChIKey of 5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine?
The InChIKey is LPZUYCSKJAURPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3S/c1-15-12-8(13)6-16-11(17-12)7-18-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine?
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine has a molecular weight of 328.21 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66301835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).