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

C19H19N5O3 — CID 50800345

IUPACN-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(OC)c(Nc2c(C)c(C)nc3nc(-c4ccco4)nn23)c1
InChIInChI=1S/C19H19N5O3/c1-11-12(2)20-19-22-17(16-6-5-9-27-16)23-24(19)18(11)21-14-10-13(25-3)7-8-15(14)26-4/h5-10,21H,1-4H3
InChIKeySTIJVIHDUHYTMN-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.76
Rot. Bonds5

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

N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 50800345) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID50800345
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(OC)c(Nc2c(C)c(C)nc3nc(-c4ccco4)nn23)c1
InChIInChI=1S/C19H19N5O3/c1-11-12(2)20-19-22-17(16-6-5-9-27-16)23-24(19)18(11)21-14-10-13(25-3)7-8-15(14)26-4/h5-10,21H,1-4H3
InChIKeySTIJVIHDUHYTMN-UHFFFAOYSA-N
XLogP3.76
TPSA86.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800291
2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961709
N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800239
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800334
N-[(2-chlorophenyl)methyl]-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800206
5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 18960655
N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 50800843
6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433811
N-(5-chloro-2-methylphenyl)-11-(furan-2-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 50800850
N-(2,5-dimethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308295
N-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46368172
5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029467

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 50800345) is N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(OC)c(Nc2c(C)c(C)nc3nc(-c4ccco4)nn23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is STIJVIHDUHYTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-11-12(2)20-19-22-17(16-6-5-9-27-16)23-24(19)18(11)21-14-10-13(25-3)7-8-15(14)26-4/h5-10,21H,1-4H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 365.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 50800345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).