2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C21H23N7O2 — CID 23570350

IUPAC2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESNc1nc(NCc2ccccc2CN2CCOCC2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C21H23N7O2/c22-21-24-18(12-19-25-20(26-28(19)21)17-6-3-9-30-17)23-13-15-4-1-2-5-16(15)14-27-7-10-29-11-8-27/h1-6,9,12,23H,7-8,10-11,13-14H2,(H2,22,24)
InChIKeyJFEAZSYPXRVFLA-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.41
Rot. Bonds6

About 2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 23570350) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
PubChem CID23570350
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESNc1nc(NCc2ccccc2CN2CCOCC2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C21H23N7O2/c22-21-24-18(12-19-25-20(26-28(19)21)17-6-3-9-30-17)23-13-15-4-1-2-5-16(15)14-27-7-10-29-11-8-27/h1-6,9,12,23H,7-8,10-11,13-14H2,(H2,22,24)
InChIKeyJFEAZSYPXRVFLA-UHFFFAOYSA-N
XLogP2.41
TPSA106.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 23570350) is 2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is Nc1nc(NCc2ccccc2CN2CCOCC2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The InChIKey is JFEAZSYPXRVFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c22-21-24-18(12-19-25-20(26-28(19)21)17-6-3-9-30-17)23-13-15-4-1-2-5-16(15)14-27-7-10-29-11-8-27/h1-6,9,12,23H,7-8,10-11,13-14H2,(H2,22,24).
What are the key properties of 2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 405.46 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 23570350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).