5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine

C14H17Br2N3S — CID 115381195

IUPAC5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2sccc2Br)nc(CCC)c1Br
InChIInChI=1S/C14H17Br2N3S/c1-3-5-10-11(16)13(17-7-4-2)19-14(18-10)12-9(15)6-8-20-12/h6,8H,3-5,7H2,1-2H3,(H,17,18,19)
InChIKeyFTRZIJGMHFRRNF-UHFFFAOYSA-N
MW419.19 g/mol
LogP5.50
Rot. Bonds6

About 5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine

5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine (PubChem CID 115381195) has the molecular formula C14H17Br2N3S and a molecular weight of 419.19 g/mol. Its IUPAC name is 5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
PubChem CID115381195
Molecular FormulaC14H17Br2N3S
Molecular Weight419.19 g/mol
Exact Mass416.95
IUPAC Name5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2sccc2Br)nc(CCC)c1Br
InChIInChI=1S/C14H17Br2N3S/c1-3-5-10-11(16)13(17-7-4-2)19-14(18-10)12-9(15)6-8-20-12/h6,8H,3-5,7H2,1-2H3,(H,17,18,19)
InChIKeyFTRZIJGMHFRRNF-UHFFFAOYSA-N
XLogP5.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.19
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381241
2-(3-bromothiophen-2-yl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 115381221
5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66306562
5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66305370
5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296335
5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66306369
5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296529
2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine
CID 115381139
5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66305762
2-(3-bromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472733
2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381242
5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66304958

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine (CID 115381195) is 5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine is CCCNc1nc(-c2sccc2Br)nc(CCC)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine?
The InChIKey is FTRZIJGMHFRRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2N3S/c1-3-5-10-11(16)13(17-7-4-2)19-14(18-10)12-9(15)6-8-20-12/h6,8H,3-5,7H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine?
5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine has a molecular weight of 419.19 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 115381195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).