2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H21N5O4 — CID 50800291

IUPAC2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(Nc2c(C)c(C)nc3nc(-c4ccco4)nn23)cc(OC)c1OC
InChIInChI=1S/C20H21N5O4/c1-11-12(2)21-20-23-18(14-7-6-8-29-14)24-25(20)19(11)22-13-9-15(26-3)17(28-5)16(10-13)27-4/h6-10,22H,1-5H3
InChIKeyFNWXGZBHDATDGI-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.77
Rot. Bonds6

About 2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 50800291) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID50800291
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(Nc2c(C)c(C)nc3nc(-c4ccco4)nn23)cc(OC)c1OC
InChIInChI=1S/C20H21N5O4/c1-11-12(2)21-20-23-18(14-7-6-8-29-14)24-25(20)19(11)22-13-9-15(26-3)17(28-5)16(10-13)27-4/h6-10,22H,1-5H3
InChIKeyFNWXGZBHDATDGI-UHFFFAOYSA-N
XLogP3.77
TPSA95.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 50800291) is 2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1cc(Nc2c(C)c(C)nc3nc(-c4ccco4)nn23)cc(OC)c1OC.
What is the InChIKey of 2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FNWXGZBHDATDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-11-12(2)21-20-23-18(14-7-6-8-29-14)24-25(20)19(11)22-13-9-15(26-3)17(28-5)16(10-13)27-4/h6-10,22H,1-5H3.
What are the key properties of 2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 395.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 50800291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).