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

C14H13BrF2N6O — CID 155792425

IUPAC6-[[5-bromo-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OCC(F)F)n1
InChIInChI=1S/C14H13BrF2N6O/c1-7-9(12(18)23-14(21-7)19-6-20-23)4-8-2-3-10(15)13(22-8)24-5-11(16)17/h2-3,6,11H,4-5,18H2,1H3
InChIKeyGCVWLTZDWCUVOZ-UHFFFAOYSA-N
MW399.20 g/mol
LogP2.41
Rot. Bonds5

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

6-[[5-bromo-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 155792425) has the molecular formula C14H13BrF2N6O and a molecular weight of 399.20 g/mol. Its IUPAC name is 6-[[5-bromo-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-[[5-bromo-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID155792425
Molecular FormulaC14H13BrF2N6O
Molecular Weight399.20 g/mol
Exact Mass398.03
IUPAC Name6-[[5-bromo-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OCC(F)F)n1
InChIInChI=1S/C14H13BrF2N6O/c1-7-9(12(18)23-14(21-7)19-6-20-23)4-8-2-3-10(15)13(22-8)24-5-11(16)17/h2-3,6,11H,4-5,18H2,1H3
InChIKeyGCVWLTZDWCUVOZ-UHFFFAOYSA-N
XLogP2.41
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[5-bromo-6-(2,2-difluoroethoxy)-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
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 9.3
CID 155792445
US11583532, Example 8.3
CID 155792465
US10307425, Example 43
CID 86342145
US11583532, Example 9.1
CID 139369663
US11583532, Example 4.4
CID 139369680
US11583532, Example 12.1
CID 150165988

Frequently Asked Questions

What is the IUPAC name of 6-[[5-bromo-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-[[5-bromo-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 155792425) is 6-[[5-bromo-6-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-[[5-bromo-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OCC(F)F)n1.
What is the InChIKey of 6-[[5-bromo-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GCVWLTZDWCUVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N6O/c1-7-9(12(18)23-14(21-7)19-6-20-23)4-8-2-3-10(15)13(22-8)24-5-11(16)17/h2-3,6,11H,4-5,18H2,1H3.
What are the key properties of 6-[[5-bromo-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-[[5-bromo-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 399.20 g/mol, XLogP of 2.41, 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-(2,2-difluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 155792425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).