2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H18ClN5O — CID 23608695

IUPAC2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(Cl)cc1Nc1cc(C)nc2nc(Cc3ccccc3)nn12
InChIInChI=1S/C20H18ClN5O/c1-13-10-19(23-16-12-15(21)8-9-17(16)27-2)26-20(22-13)24-18(25-26)11-14-6-4-3-5-7-14/h3-10,12,23H,11H2,1-2H3
InChIKeyHNCFADZUUKMCTO-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.43
Rot. Bonds5

About 2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 23608695) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID23608695
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(Cl)cc1Nc1cc(C)nc2nc(Cc3ccccc3)nn12
InChIInChI=1S/C20H18ClN5O/c1-13-10-19(23-16-12-15(21)8-9-17(16)27-2)26-20(22-13)24-18(25-26)11-14-6-4-3-5-7-14/h3-10,12,23H,11H2,1-2H3
InChIKeyHNCFADZUUKMCTO-UHFFFAOYSA-N
XLogP4.43
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608734
N-(2,5-dimethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308295
4-N-benzyl-2-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915556
2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961709
2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608686
N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608690
5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline
CID 86977933
N-(2,5-dimethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid
CID 46245558
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876894
2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 935590
2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22432248
N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22431687

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 23608695) is 2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(Cl)cc1Nc1cc(C)nc2nc(Cc3ccccc3)nn12.
What is the InChIKey of 2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HNCFADZUUKMCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-13-10-19(23-16-12-15(21)8-9-17(16)27-2)26-20(22-13)24-18(25-26)11-14-6-4-3-5-7-14/h3-10,12,23H,11H2,1-2H3.
What are the key properties of 2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 379.85 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 23608695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).