5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine

C12H19BrClN3 — CID 79076460

IUPAC5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine
SMILESCCCCN(CCCC)c1nc(Cl)ncc1Br
InChIInChI=1S/C12H19BrClN3/c1-3-5-7-17(8-6-4-2)11-10(13)9-15-12(14)16-11/h9H,3-8H2,1-2H3
InChIKeyWEBKRPWMEQCCOB-UHFFFAOYSA-N
MW320.66 g/mol
LogP4.30
Rot. Bonds7

About 5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine

5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine (PubChem CID 79076460) has the molecular formula C12H19BrClN3 and a molecular weight of 320.66 g/mol. Its IUPAC name is 5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine
PubChem CID79076460
Molecular FormulaC12H19BrClN3
Molecular Weight320.66 g/mol
Exact Mass319.05
IUPAC Name5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine
SMILESCCCCN(CCCC)c1nc(Cl)ncc1Br
InChIInChI=1S/C12H19BrClN3/c1-3-5-7-17(8-6-4-2)11-10(13)9-15-12(14)16-11/h9H,3-8H2,1-2H3
InChIKeyWEBKRPWMEQCCOB-UHFFFAOYSA-N
XLogP4.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine?
The IUPAC name of 5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine (CID 79076460) is 5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine is CCCCN(CCCC)c1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine?
The InChIKey is WEBKRPWMEQCCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrClN3/c1-3-5-7-17(8-6-4-2)11-10(13)9-15-12(14)16-11/h9H,3-8H2,1-2H3.
What are the key properties of 5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine?
5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine has a molecular weight of 320.66 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine is sourced from PubChem (CID 79076460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).