8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C14H13BrFN5 — CID 161351702

IUPAC8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cccc(F)c1Cc1nc2c(Br)c(C)nc(N)n2n1
InChIInChI=1S/C14H13BrFN5/c1-7-4-3-5-10(16)9(7)6-11-19-13-12(15)8(2)18-14(17)21(13)20-11/h3-5H,6H2,1-2H3,(H2,17,18)
InChIKeyJMGPCKLCUNDDDY-UHFFFAOYSA-N
MW350.20 g/mol
LogP2.82
Rot. Bonds2

About 8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 161351702) has the molecular formula C14H13BrFN5 and a molecular weight of 350.20 g/mol. Its IUPAC name is 8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID161351702
Molecular FormulaC14H13BrFN5
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Name8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cccc(F)c1Cc1nc2c(Br)c(C)nc(N)n2n1
InChIInChI=1S/C14H13BrFN5/c1-7-4-3-5-10(16)9(7)6-11-19-13-12(15)8(2)18-14(17)21(13)20-11/h3-5H,6H2,1-2H3,(H2,17,18)
InChIKeyJMGPCKLCUNDDDY-UHFFFAOYSA-N
XLogP2.82
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146443827
2-[(2,6-difluorophenyl)methyl]-8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490911
3-[5-amino-8-bromo-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508800
2-[(5-fluoro-2-pyridinyl)methyl]-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 156821407
2-ethyl-7,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 159789024
3-[[2-[[5-amino-7-(3-isocyanophenyl)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]-3-fluorophenyl]methyl]-1-methylimidazolidine-2,4-dione
CID 153433736
3-[5-amino-8-bromo-2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508840
7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490637
2-[(3-chloro-5-fluoro-2-pyridinyl)methyl]-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethane
CID 156821438
5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 104605153
3-[8-amino-2-[(2-fluoro-6-formylphenyl)methyl]-5-(4-methyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 146307304
8-(2-chloro-6-methyl-4-pyridinyl)-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490611

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 161351702) is 8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cccc(F)c1Cc1nc2c(Br)c(C)nc(N)n2n1.
What is the InChIKey of 8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is JMGPCKLCUNDDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN5/c1-7-4-3-5-10(16)9(7)6-11-19-13-12(15)8(2)18-14(17)21(13)20-11/h3-5H,6H2,1-2H3,(H2,17,18).
What are the key properties of 8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 350.20 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 161351702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).