N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H15BrFN5 — CID 46352593

IUPACN-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Br)cc2)n2nc(Cc3cccc(F)c3)nc2n1
InChIInChI=1S/C19H15BrFN5/c1-12-9-18(23-16-7-5-14(20)6-8-16)26-19(22-12)24-17(25-26)11-13-3-2-4-15(21)10-13/h2-10,23H,11H2,1H3
InChIKeySRWZDOQYFAZWHH-UHFFFAOYSA-N
MW412.27 g/mol
LogP4.67
Rot. Bonds4

About N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46352593) has the molecular formula C19H15BrFN5 and a molecular weight of 412.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID46352593
Molecular FormulaC19H15BrFN5
Molecular Weight412.27 g/mol
Exact Mass411.05
IUPAC NameN-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Br)cc2)n2nc(Cc3cccc(F)c3)nc2n1
InChIInChI=1S/C19H15BrFN5/c1-12-9-18(23-16-7-5-14(20)6-8-16)26-19(22-12)24-17(25-26)11-13-3-2-4-15(21)10-13/h2-10,23H,11H2,1H3
InChIKeySRWZDOQYFAZWHH-UHFFFAOYSA-N
XLogP4.67
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[2-[(3-fluorophenyl)methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]ethanone
CID 22577519
N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22575553
7-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 22577504
N-(4-fluorophenyl)-5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608616
5-methyl-2-(2-methylpropyl)-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53392536
7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167755807
2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608695
6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46352569
N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 58090749
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961756
2-[(4-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608734

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 46352593) is N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(Br)cc2)n2nc(Cc3cccc(F)c3)nc2n1.
What is the InChIKey of N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SRWZDOQYFAZWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN5/c1-12-9-18(23-16-7-5-14(20)6-8-16)26-19(22-12)24-17(25-26)11-13-3-2-4-15(21)10-13/h2-10,23H,11H2,1H3.
What are the key properties of N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 412.27 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46352593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).