5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C24H26N8O2 — CID 66828222

IUPAC5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCOCCN(C)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C24H26N8O2/c1-32(10-11-33-2)20-7-4-16(12-27-20)21-30-22(31-34-21)24(8-3-9-24)18-5-6-19(26-15-18)17-13-28-23(25)29-14-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,25,28,29)
InChIKeyFHDIBSPSPYSTSV-UHFFFAOYSA-N
MW458.53 g/mol
LogP3.12
Rot. Bonds8

About 5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 66828222) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID66828222
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCOCCN(C)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C24H26N8O2/c1-32(10-11-33-2)20-7-4-16(12-27-20)21-30-22(31-34-21)24(8-3-9-24)18-5-6-19(26-15-18)17-13-28-23(25)29-14-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,25,28,29)
InChIKeyFHDIBSPSPYSTSV-UHFFFAOYSA-N
XLogP3.12
TPSA128.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 66828222) is 5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is COCCN(C)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.
What is the InChIKey of 5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is FHDIBSPSPYSTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-32(10-11-33-2)20-7-4-16(12-27-20)21-30-22(31-34-21)24(8-3-9-24)18-5-6-19(26-15-18)17-13-28-23(25)29-14-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,25,28,29).
What are the key properties of 5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 458.53 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 66828222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).