1-butyl-2H-pyrimidine;hydrobromide

C8H15BrN2 — CID 172728685

IUPAC1-butyl-2H-pyrimidine;hydrobromide
SMILESBr.CCCCN1C=CC=NC1
InChIInChI=1S/C8H14N2.BrH/c1-2-3-6-10-7-4-5-9-8-10;/h4-5,7H,2-3,6,8H2,1H3;1H
InChIKeyCLFQEKXSQLRIAS-UHFFFAOYSA-N
MW219.13 g/mol
LogP2.22
Rot. Bonds3

About 1-butyl-2H-pyrimidine;hydrobromide

1-butyl-2H-pyrimidine;hydrobromide (PubChem CID 172728685) has the molecular formula C8H15BrN2 and a molecular weight of 219.13 g/mol. Its IUPAC name is 1-butyl-2H-pyrimidine;hydrobromide.

Molecular Properties

Compound Name1-butyl-2H-pyrimidine;hydrobromide
PubChem CID172728685
Molecular FormulaC8H15BrN2
Molecular Weight219.13 g/mol
Exact Mass218.04
IUPAC Name1-butyl-2H-pyrimidine;hydrobromide
SMILESBr.CCCCN1C=CC=NC1
InChIInChI=1S/C8H14N2.BrH/c1-2-3-6-10-7-4-5-9-8-10;/h4-5,7H,2-3,6,8H2,1H3;1H
InChIKeyCLFQEKXSQLRIAS-UHFFFAOYSA-N
XLogP2.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2H-pyrimidine;hydrobromide?
The IUPAC name of 1-butyl-2H-pyrimidine;hydrobromide (CID 172728685) is 1-butyl-2H-pyrimidine;hydrobromide.
What is the SMILES notation for 1-butyl-2H-pyrimidine;hydrobromide?
The canonical SMILES for 1-butyl-2H-pyrimidine;hydrobromide is Br.CCCCN1C=CC=NC1.
What is the InChIKey of 1-butyl-2H-pyrimidine;hydrobromide?
The InChIKey is CLFQEKXSQLRIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.BrH/c1-2-3-6-10-7-4-5-9-8-10;/h4-5,7H,2-3,6,8H2,1H3;1H.
What are the key properties of 1-butyl-2H-pyrimidine;hydrobromide?
1-butyl-2H-pyrimidine;hydrobromide has a molecular weight of 219.13 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2H-pyrimidine;hydrobromide is sourced from PubChem (CID 172728685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).