5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine

C11H11BrN2O — CID 141328863

IUPAC5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine
SMILESCOc1ccccc1C1N=CNC=C1Br
InChIInChI=1S/C11H11BrN2O/c1-15-10-5-3-2-4-8(10)11-9(12)6-13-7-14-11/h2-7,11H,1H3,(H,13,14)
InChIKeyHDKXWIWCALNPTQ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.60
Rot. Bonds2

About 5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine

5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine (PubChem CID 141328863) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine
PubChem CID141328863
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine
SMILESCOc1ccccc1C1N=CNC=C1Br
InChIInChI=1S/C11H11BrN2O/c1-15-10-5-3-2-4-8(10)11-9(12)6-13-7-14-11/h2-7,11H,1H3,(H,13,14)
InChIKeyHDKXWIWCALNPTQ-UHFFFAOYSA-N
XLogP2.60
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine?
The IUPAC name of 5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine (CID 141328863) is 5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine?
The canonical SMILES for 5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine is COc1ccccc1C1N=CNC=C1Br.
What is the InChIKey of 5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine?
The InChIKey is HDKXWIWCALNPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-15-10-5-3-2-4-8(10)11-9(12)6-13-7-14-11/h2-7,11H,1H3,(H,13,14).
What are the key properties of 5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine?
5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine has a molecular weight of 267.13 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methoxyphenyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 141328863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).