5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

C20H20N6O4 — CID 22002319

IUPAC5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
SMILESCNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12
InChIInChI=1S/C20H20N6O4/c1-21-19(27)13-11-23-20(22-10-12-6-7-14(28-2)16(9-12)29-3)26-18(13)24-17(25-26)15-5-4-8-30-15/h4-9,11H,10H2,1-3H3,(H,21,27)(H,22,23)
InChIKeyMZKHULNXFMYXHQ-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.37
Rot. Bonds7

About 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide (PubChem CID 22002319) has the molecular formula C20H20N6O4 and a molecular weight of 408.42 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
PubChem CID22002319
Molecular FormulaC20H20N6O4
Molecular Weight408.42 g/mol
Exact Mass408.15
IUPAC Name5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
SMILESCNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12
InChIInChI=1S/C20H20N6O4/c1-21-19(27)13-11-23-20(22-10-12-6-7-14(28-2)16(9-12)29-3)26-18(13)24-17(25-26)15-5-4-8-30-15/h4-9,11H,10H2,1-3H3,(H,21,27)(H,22,23)
InChIKeyMZKHULNXFMYXHQ-UHFFFAOYSA-N
XLogP2.37
TPSA115.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide (CID 22002319) is 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide is CNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The InChIKey is MZKHULNXFMYXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4/c1-21-19(27)13-11-23-20(22-10-12-6-7-14(28-2)16(9-12)29-3)26-18(13)24-17(25-26)15-5-4-8-30-15/h4-9,11H,10H2,1-3H3,(H,21,27)(H,22,23).
What are the key properties of 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 22002319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).