4-bromo-6-methyl-1,2-dihydropyrimidine

C5H7BrN2 — CID 121330322

IUPAC4-bromo-6-methyl-1,2-dihydropyrimidine
SMILESCC1=CC(Br)=NCN1
InChIInChI=1S/C5H7BrN2/c1-4-2-5(6)8-3-7-4/h2,7H,3H2,1H3
InChIKeyCRNMNALHDKOGJR-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.24
Rot. Bonds

About 4-bromo-6-methyl-1,2-dihydropyrimidine

4-bromo-6-methyl-1,2-dihydropyrimidine (PubChem CID 121330322) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 4-bromo-6-methyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4-bromo-6-methyl-1,2-dihydropyrimidine
PubChem CID121330322
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name4-bromo-6-methyl-1,2-dihydropyrimidine
SMILESCC1=CC(Br)=NCN1
InChIInChI=1S/C5H7BrN2/c1-4-2-5(6)8-3-7-4/h2,7H,3H2,1H3
InChIKeyCRNMNALHDKOGJR-UHFFFAOYSA-N
XLogP1.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-1,2-dihydropyrimidine?
The IUPAC name of 4-bromo-6-methyl-1,2-dihydropyrimidine (CID 121330322) is 4-bromo-6-methyl-1,2-dihydropyrimidine.
What is the SMILES notation for 4-bromo-6-methyl-1,2-dihydropyrimidine?
The canonical SMILES for 4-bromo-6-methyl-1,2-dihydropyrimidine is CC1=CC(Br)=NCN1.
What is the InChIKey of 4-bromo-6-methyl-1,2-dihydropyrimidine?
The InChIKey is CRNMNALHDKOGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2/c1-4-2-5(6)8-3-7-4/h2,7H,3H2,1H3.
What are the key properties of 4-bromo-6-methyl-1,2-dihydropyrimidine?
4-bromo-6-methyl-1,2-dihydropyrimidine has a molecular weight of 175.03 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-1,2-dihydropyrimidine is sourced from PubChem (CID 121330322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).