6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C22H23N5O2 — CID 83286308

IUPAC6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(CNc2c(Cc3ccccc3)c(C)nc3ncnn23)cc(OC)c1
InChIInChI=1S/C22H23N5O2/c1-15-20(11-16-7-5-4-6-8-16)21(27-22(26-15)24-14-25-27)23-13-17-9-18(28-2)12-19(10-17)29-3/h4-10,12,14,23H,11,13H2,1-3H3
InChIKeyBGZGRJRILFPHMB-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.65
Rot. Bonds7

About 6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 83286308) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID83286308
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(CNc2c(Cc3ccccc3)c(C)nc3ncnn23)cc(OC)c1
InChIInChI=1S/C22H23N5O2/c1-15-20(11-16-7-5-4-6-8-16)21(27-22(26-15)24-14-25-27)23-13-17-9-18(28-2)12-19(10-17)29-3/h4-10,12,14,23H,11,13H2,1-3H3
InChIKeyBGZGRJRILFPHMB-UHFFFAOYSA-N
XLogP3.65
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 83286308) is 6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1cc(CNc2c(Cc3ccccc3)c(C)nc3ncnn23)cc(OC)c1.
What is the InChIKey of 6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BGZGRJRILFPHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-20(11-16-7-5-4-6-8-16)21(27-22(26-15)24-14-25-27)23-13-17-9-18(28-2)12-19(10-17)29-3/h4-10,12,14,23H,11,13H2,1-3H3.
What are the key properties of 6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 389.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 83286308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).