2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine

C14H13BrN6O — CID 130320989

IUPAC2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine
SMILESCc1cnc(OCc2cn(-c3ccc(Br)c(C)n3)nn2)nc1
InChIInChI=1S/C14H13BrN6O/c1-9-5-16-14(17-6-9)22-8-11-7-21(20-19-11)13-4-3-12(15)10(2)18-13/h3-7H,8H2,1-2H3
InChIKeyZSGQMYPRYVUZAY-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.41
Rot. Bonds4

About 2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine

2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine (PubChem CID 130320989) has the molecular formula C14H13BrN6O and a molecular weight of 361.20 g/mol. Its IUPAC name is 2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine
PubChem CID130320989
Molecular FormulaC14H13BrN6O
Molecular Weight361.20 g/mol
Exact Mass360.03
IUPAC Name2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine
SMILESCc1cnc(OCc2cn(-c3ccc(Br)c(C)n3)nn2)nc1
InChIInChI=1S/C14H13BrN6O/c1-9-5-16-14(17-6-9)22-8-11-7-21(20-19-11)13-4-3-12(15)10(2)18-13/h3-7H,8H2,1-2H3
InChIKeyZSGQMYPRYVUZAY-UHFFFAOYSA-N
XLogP2.41
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine?
The IUPAC name of 2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine (CID 130320989) is 2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine.
What is the SMILES notation for 2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine?
The canonical SMILES for 2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine is Cc1cnc(OCc2cn(-c3ccc(Br)c(C)n3)nn2)nc1.
What is the InChIKey of 2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine?
The InChIKey is ZSGQMYPRYVUZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN6O/c1-9-5-16-14(17-6-9)22-8-11-7-21(20-19-11)13-4-3-12(15)10(2)18-13/h3-7H,8H2,1-2H3.
What are the key properties of 2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine?
2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine has a molecular weight of 361.20 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-bromo-6-methyl-2-pyridinyl)triazol-4-yl]methoxy]-5-methylpyrimidine is sourced from PubChem (CID 130320989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).