5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine

C13H9BrClN5 — CID 66311254

IUPAC5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine
SMILESCc1nc(-c2cnn(-c3ccccc3)n2)nc(Cl)c1Br
InChIInChI=1S/C13H9BrClN5/c1-8-11(14)12(15)18-13(17-8)10-7-16-20(19-10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyRTMJFBZDZDWCAK-UHFFFAOYSA-N
MW350.61 g/mol
LogP3.45
Rot. Bonds2

About 5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine

5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine (PubChem CID 66311254) has the molecular formula C13H9BrClN5 and a molecular weight of 350.61 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine
PubChem CID66311254
Molecular FormulaC13H9BrClN5
Molecular Weight350.61 g/mol
Exact Mass348.97
IUPAC Name5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine
SMILESCc1nc(-c2cnn(-c3ccccc3)n2)nc(Cl)c1Br
InChIInChI=1S/C13H9BrClN5/c1-8-11(14)12(15)18-13(17-8)10-7-16-20(19-10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyRTMJFBZDZDWCAK-UHFFFAOYSA-N
XLogP3.45
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.61
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-chloro-2-(2-phenyltriazol-4-yl)pyrimidine
CID 66312088
5-iodo-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine
CID 66297847
6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine
CID 62202637
4-chloro-6-(methoxymethyl)-2-(2-phenyltriazol-4-yl)pyrimidine
CID 62320132
5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine
CID 130598648
3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine
CID 43556103
ethane;4-methyl-2-phenyltriazole
CID 143409847
2-(2-phenyltriazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62202271
2,4-bis[4-(2-phenylethenyl)phenyl]triazole
CID 70598858
5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine
CID 103570148
5-bromo-4-chloro-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine
CID 66312422
4-(furan-2-yl)-2-phenyltriazole
CID 12752145

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine (CID 66311254) is 5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine is Cc1nc(-c2cnn(-c3ccccc3)n2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine?
The InChIKey is RTMJFBZDZDWCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN5/c1-8-11(14)12(15)18-13(17-8)10-7-16-20(19-10)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine?
5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine has a molecular weight of 350.61 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine is sourced from PubChem (CID 66311254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).