6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine

C13H12Br2ClN3 — CID 63727953

IUPAC6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccc(Br)cc1Br
InChIInChI=1S/C13H12Br2ClN3/c1-2-3-9-12(16)17-7-18-13(9)19-11-5-4-8(14)6-10(11)15/h4-7H,2-3H2,1H3,(H,17,18,19)
InChIKeyBUXNSLPHOYYHQB-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.35
Rot. Bonds4

About 6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine

6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine (PubChem CID 63727953) has the molecular formula C13H12Br2ClN3 and a molecular weight of 405.52 g/mol. Its IUPAC name is 6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
PubChem CID63727953
Molecular FormulaC13H12Br2ClN3
Molecular Weight405.52 g/mol
Exact Mass402.91
IUPAC Name6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccc(Br)cc1Br
InChIInChI=1S/C13H12Br2ClN3/c1-2-3-9-12(16)17-7-18-13(9)19-11-5-4-8(14)6-10(11)15/h4-7H,2-3H2,1H3,(H,17,18,19)
InChIKeyBUXNSLPHOYYHQB-UHFFFAOYSA-N
XLogP5.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine (CID 63727953) is 6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1Nc1ccc(Br)cc1Br.
What is the InChIKey of 6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine?
The InChIKey is BUXNSLPHOYYHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2ClN3/c1-2-3-9-12(16)17-7-18-13(9)19-11-5-4-8(14)6-10(11)15/h4-7H,2-3H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine?
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine has a molecular weight of 405.52 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63727953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).