2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C18H18N6O2 — CID 20770658

IUPAC2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCOc1ccc(CCNc2cc3nc(-c4ccco4)nn3c(N)n2)cc1
InChIInChI=1S/C18H18N6O2/c1-25-13-6-4-12(5-7-13)8-9-20-15-11-16-22-17(14-3-2-10-26-14)23-24(16)18(19)21-15/h2-7,10-11,20H,8-9H2,1H3,(H2,19,21)
InChIKeyZEOUTVYYOAHJLX-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.63
Rot. Bonds6

About 2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 20770658) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
PubChem CID20770658
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCOc1ccc(CCNc2cc3nc(-c4ccco4)nn3c(N)n2)cc1
InChIInChI=1S/C18H18N6O2/c1-25-13-6-4-12(5-7-13)8-9-20-15-11-16-22-17(14-3-2-10-26-14)23-24(16)18(19)21-15/h2-7,10-11,20H,8-9H2,1H3,(H2,19,21)
InChIKeyZEOUTVYYOAHJLX-UHFFFAOYSA-N
XLogP2.63
TPSA103.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 20770658) is 2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is COc1ccc(CCNc2cc3nc(-c4ccco4)nn3c(N)n2)cc1.
What is the InChIKey of 2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The InChIKey is ZEOUTVYYOAHJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-25-13-6-4-12(5-7-13)8-9-20-15-11-16-22-17(14-3-2-10-26-14)23-24(16)18(19)21-15/h2-7,10-11,20H,8-9H2,1H3,(H2,19,21).
What are the key properties of 2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 350.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 20770658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).