N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide

C24H24N6O2 — CID 117081710

IUPACN-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide
SMILESCOc1ccc(CCNc2nc(-c3ccc(C(=O)NC4CC4)cc3)nc3nc[nH]c23)cc1
InChIInChI=1S/C24H24N6O2/c1-32-19-10-2-15(3-11-19)12-13-25-22-20-23(27-14-26-20)30-21(29-22)16-4-6-17(7-5-16)24(31)28-18-8-9-18/h2-7,10-11,14,18H,8-9,12-13H2,1H3,(H,28,31)(H2,25,26,27,29,30)
InChIKeyRZYUSBFHMGWIOE-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.58
Rot. Bonds8

About N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide

N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide (PubChem CID 117081710) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide
PubChem CID117081710
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide
SMILESCOc1ccc(CCNc2nc(-c3ccc(C(=O)NC4CC4)cc3)nc3nc[nH]c23)cc1
InChIInChI=1S/C24H24N6O2/c1-32-19-10-2-15(3-11-19)12-13-25-22-20-23(27-14-26-20)30-21(29-22)16-4-6-17(7-5-16)24(31)28-18-8-9-18/h2-7,10-11,14,18H,8-9,12-13H2,1H3,(H,28,31)(H2,25,26,27,29,30)
InChIKeyRZYUSBFHMGWIOE-UHFFFAOYSA-N
XLogP3.58
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide
CID 117080069
6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 39377702
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395
N-cyclopropyl-4-[(7H-purin-6-ylamino)methyl]benzamide
CID 47072892
N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109250312
N-cyclopentyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109225918
N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109173025
1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea
CID 113042810
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine
CID 117083517
N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43086123

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide (CID 117081710) is N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide is COc1ccc(CCNc2nc(-c3ccc(C(=O)NC4CC4)cc3)nc3nc[nH]c23)cc1.
What is the InChIKey of N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide?
The InChIKey is RZYUSBFHMGWIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-32-19-10-2-15(3-11-19)12-13-25-22-20-23(27-14-26-20)30-21(29-22)16-4-6-17(7-5-16)24(31)28-18-8-9-18/h2-7,10-11,14,18H,8-9,12-13H2,1H3,(H,28,31)(H2,25,26,27,29,30).
What are the key properties of N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide?
N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide has a molecular weight of 428.50 g/mol, XLogP of 3.58, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide is sourced from PubChem (CID 117081710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).