N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide

C20H22N6O3 — CID 58102458

IUPACN-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide
SMILESO=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)NC1CC1
InChIInChI=1S/C20H22N6O3/c27-15-3-1-2-13(10-15)17-18-19(24-20(23-17)25-6-8-29-9-7-25)26(12-21-18)11-16(28)22-14-4-5-14/h1-3,10,12,14,27H,4-9,11H2,(H,22,28)
InChIKeyGVXBRIGSDBQFMN-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.31
Rot. Bonds5

About N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide

N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide (PubChem CID 58102458) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide
PubChem CID58102458
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC NameN-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide
SMILESO=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)NC1CC1
InChIInChI=1S/C20H22N6O3/c27-15-3-1-2-13(10-15)17-18-19(24-20(23-17)25-6-8-29-9-7-25)26(12-21-18)11-16(28)22-14-4-5-14/h1-3,10,12,14,27H,4-9,11H2,(H,22,28)
InChIKeyGVXBRIGSDBQFMN-UHFFFAOYSA-N
XLogP1.31
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide (CID 58102458) is N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide is O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide?
The InChIKey is GVXBRIGSDBQFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c27-15-3-1-2-13(10-15)17-18-19(24-20(23-17)25-6-8-29-9-7-25)26(12-21-18)11-16(28)22-14-4-5-14/h1-3,10,12,14,27H,4-9,11H2,(H,22,28).
What are the key properties of N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide?
N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide has a molecular weight of 394.44 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide is sourced from PubChem (CID 58102458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).