6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H14BrFN6O — CID 155792465

IUPAC6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OCCF)n1
InChIInChI=1S/C14H14BrFN6O/c1-8-10(12(17)22-14(20-8)18-7-19-22)6-9-2-3-11(15)13(21-9)23-5-4-16/h2-3,7H,4-6,17H2,1H3
InChIKeyPIQRAQINZWVBLG-UHFFFAOYSA-N
MW381.21 g/mol
LogP2.11
Rot. Bonds5

About 6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 155792465) has the molecular formula C14H14BrFN6O and a molecular weight of 381.21 g/mol. Its IUPAC name is 6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID155792465
Molecular FormulaC14H14BrFN6O
Molecular Weight381.21 g/mol
Exact Mass380.04
IUPAC Name6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OCCF)n1
InChIInChI=1S/C14H14BrFN6O/c1-8-10(12(17)22-14(20-8)18-7-19-22)6-9-2-3-11(15)13(21-9)23-5-4-16/h2-3,7H,4-6,17H2,1H3
InChIKeyPIQRAQINZWVBLG-UHFFFAOYSA-N
XLogP2.11
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

6-[[5-Bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139376873
3-Bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4775099
N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 10159318
3-(6-(4-Fluorobenzyloxy)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44158660
US11583532, Example 1.1
CID 139369682
US11583532, Example 4.1
CID 139369683
US11583532, Example 8.1
CID 139376918
US11583532, Example 8.4
CID 155792425
US11583532, Example 9.3
CID 155792445
N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine
CID 46947912
US11583532, Example 9.1
CID 139369663
US11583532, Example 4.4
CID 139369680

Frequently Asked Questions

What is the IUPAC name of 6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 155792465) is 6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OCCF)n1.
What is the InChIKey of 6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PIQRAQINZWVBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN6O/c1-8-10(12(17)22-14(20-8)18-7-19-22)6-9-2-3-11(15)13(21-9)23-5-4-16/h2-3,7H,4-6,17H2,1H3.
What are the key properties of 6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 381.21 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-bromo-6-(2-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 155792465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).