5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine

C14H15BrFN3S — CID 66305541

IUPAC5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CSc2ccc(F)cc2)nc(N)c1Br
InChIInChI=1S/C14H15BrFN3S/c1-2-3-11-13(15)14(17)19-12(18-11)8-20-10-6-4-9(16)5-7-10/h4-7H,2-3,8H2,1H3,(H2,17,18,19)
InChIKeyKKRZZDIKLIGNJB-UHFFFAOYSA-N
MW356.26 g/mol
LogP4.21
Rot. Bonds5

About 5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine

5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine (PubChem CID 66305541) has the molecular formula C14H15BrFN3S and a molecular weight of 356.26 g/mol. Its IUPAC name is 5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine
PubChem CID66305541
Molecular FormulaC14H15BrFN3S
Molecular Weight356.26 g/mol
Exact Mass355.02
IUPAC Name5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CSc2ccc(F)cc2)nc(N)c1Br
InChIInChI=1S/C14H15BrFN3S/c1-2-3-11-13(15)14(17)19-12(18-11)8-20-10-6-4-9(16)5-7-10/h4-7H,2-3,8H2,1H3,(H2,17,18,19)
InChIKeyKKRZZDIKLIGNJB-UHFFFAOYSA-N
XLogP4.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66307765
5-bromo-2-[(4-bromophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-amine
CID 66300013
5-bromo-4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-6-propylpyrimidine
CID 66293358
2-[(3-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66305382
5-bromo-2-[(4-chlorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 66300753
5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine
CID 66293966
5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 134040236
2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62187505
6-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-5-iodo-N-methylpyrimidin-4-amine
CID 66298882
6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80975052
2-[2-[(4-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine
CID 66066519
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 66299180

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine (CID 66305541) is 5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine is CCCc1nc(CSc2ccc(F)cc2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine?
The InChIKey is KKRZZDIKLIGNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3S/c1-2-3-11-13(15)14(17)19-12(18-11)8-20-10-6-4-9(16)5-7-10/h4-7H,2-3,8H2,1H3,(H2,17,18,19).
What are the key properties of 5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine?
5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine has a molecular weight of 356.26 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66305541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).