2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

C20H24N8O2 — CID 69312190

IUPAC2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCc1cc(CC(C2CCCN2)N(C)c2cc(N)n3nc(-c4ccco4)nc3n2)no1
InChIInChI=1S/C20H24N8O2/c1-12-9-13(26-30-12)10-15(14-5-3-7-22-14)27(2)18-11-17(21)28-20(23-18)24-19(25-28)16-6-4-8-29-16/h4,6,8-9,11,14-15,22H,3,5,7,10,21H2,1-2H3
InChIKeyMVAZOPUGJKVCLO-UHFFFAOYSA-N
MW408.47 g/mol
LogP2.06
Rot. Bonds6

About 2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 69312190) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID69312190
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC Name2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCc1cc(CC(C2CCCN2)N(C)c2cc(N)n3nc(-c4ccco4)nc3n2)no1
InChIInChI=1S/C20H24N8O2/c1-12-9-13(26-30-12)10-15(14-5-3-7-22-14)27(2)18-11-17(21)28-20(23-18)24-19(25-28)16-6-4-8-29-16/h4,6,8-9,11,14-15,22H,3,5,7,10,21H2,1-2H3
InChIKeyMVAZOPUGJKVCLO-UHFFFAOYSA-N
XLogP2.06
TPSA123.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine (CID 69312190) is 2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine is Cc1cc(CC(C2CCCN2)N(C)c2cc(N)n3nc(-c4ccco4)nc3n2)no1.
What is the InChIKey of 2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is MVAZOPUGJKVCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2/c1-12-9-13(26-30-12)10-15(14-5-3-7-22-14)27(2)18-11-17(21)28-20(23-18)24-19(25-28)16-6-4-8-29-16/h4,6,8-9,11,14-15,22H,3,5,7,10,21H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 408.47 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 69312190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).