(4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide

C17H19N5O — CID 7073143

IUPAC(4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide
SMILESCc1ccc([C@H](C)CCC(=O)Nc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C17H19N5O/c1-11-3-6-13(7-4-11)12(2)5-8-14(23)22-17-15-16(19-9-18-15)20-10-21-17/h3-4,6-7,9-10,12H,5,8H2,1-2H3,(H2,18,19,20,21,22,23)/t12-/m1/s1
InChIKeyAUQRGGFSDSCHNG-GFCCVEGCSA-N
MW309.37 g/mol
LogP3.18
Rot. Bonds5

About (4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide

(4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide (PubChem CID 7073143) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide.

Molecular Properties

Compound Name(4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide
PubChem CID7073143
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide
SMILESCc1ccc([C@H](C)CCC(=O)Nc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C17H19N5O/c1-11-3-6-13(7-4-11)12(2)5-8-14(23)22-17-15-16(19-9-18-15)20-10-21-17/h3-4,6-7,9-10,12H,5,8H2,1-2H3,(H2,18,19,20,21,22,23)/t12-/m1/s1
InChIKeyAUQRGGFSDSCHNG-GFCCVEGCSA-N
XLogP3.18
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-(7H-purin-6-yl)propanamide;dihydrochloride
CID 67008467
4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride
CID 67008573
(2S)-2-chloro-N-(7H-purin-6-yl)propanamide
CID 41214843
3-(2-phenylethylamino)-N-(7H-purin-6-yl)propanamide;dihydrochloride
CID 67008624
(2S)-2-(7H-purin-6-ylcarbamoylamino)propanoic acid
CID 131853482
ethyl 4-(7H-purin-6-ylamino)pentanoate
CID 133407098
tert-butyl N-methyl-N-[3-oxo-3-(7H-purin-6-ylamino)propyl]carbamate
CID 44600958
[(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 5-methylfuran-2-carboxylate
CID 41088748
1-(2-methylphenyl)-3-(7H-purin-6-yl)urea
CID 585012
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
3-methyl-2-(7H-purin-6-ylamino)butanoic acid
CID 4136995
2-[(7H-purin-6-ylamino)methyl]butanoic acid
CID 65226734

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide?
The IUPAC name of (4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide (CID 7073143) is (4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide.
What is the SMILES notation for (4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide?
The canonical SMILES for (4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide is Cc1ccc([C@H](C)CCC(=O)Nc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of (4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide?
The InChIKey is AUQRGGFSDSCHNG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-3-6-13(7-4-11)12(2)5-8-14(23)22-17-15-16(19-9-18-15)20-10-21-17/h3-4,6-7,9-10,12H,5,8H2,1-2H3,(H2,18,19,20,21,22,23)/t12-/m1/s1.
What are the key properties of (4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide?
(4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide has a molecular weight of 309.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide is sourced from PubChem (CID 7073143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).