4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide

C15H23N7O2 — CID 110144786

IUPAC4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide
SMILESCN(C(=O)CCCN)[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)[C@H]1O
InChIInChI=1S/C15H23N7O2/c1-21(11(23)3-2-6-16)9-4-5-10(13(9)24)22-8-20-12-14(17)18-7-19-15(12)22/h7-10,13,24H,2-6,16H2,1H3,(H2,17,18,19)/t9-,10+,13+/m1/s1
InChIKeyHLMCJEBKQWQDPH-NRUUGDAUSA-N
MW333.40 g/mol
LogP-0.33
Rot. Bonds5

About 4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide

4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide (PubChem CID 110144786) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide
PubChem CID110144786
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide
SMILESCN(C(=O)CCCN)[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)[C@H]1O
InChIInChI=1S/C15H23N7O2/c1-21(11(23)3-2-6-16)9-4-5-10(13(9)24)22-8-20-12-14(17)18-7-19-15(12)22/h7-10,13,24H,2-6,16H2,1H3,(H2,17,18,19)/t9-,10+,13+/m1/s1
InChIKeyHLMCJEBKQWQDPH-NRUUGDAUSA-N
XLogP-0.33
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide with MolForge

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Related Compounds

(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110155235
(2R)-2,6-diamino-1-[(3S,4S)-3-(6-aminopurin-9-yl)-4-hydroxypyrrolidin-1-yl]hexan-1-one
CID 133065213
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide
CID 57098352
(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 23241675
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
N-[(1R,2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxycyclohexyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
CID 110146002
(2R,3S,4R)-2-[[3-aminopropyl(methyl)amino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
CID 46874021
butyl 4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylate
CID 19996044
9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10584868
(1R,2S,3R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-3-methylcyclopentane-1,2-diol
CID 102512363

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide?
The IUPAC name of 4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide (CID 110144786) is 4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide?
The canonical SMILES for 4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide is CN(C(=O)CCCN)[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)[C@H]1O.
What is the InChIKey of 4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide?
The InChIKey is HLMCJEBKQWQDPH-NRUUGDAUSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-21(11(23)3-2-6-16)9-4-5-10(13(9)24)22-8-20-12-14(17)18-7-19-15(12)22/h7-10,13,24H,2-6,16H2,1H3,(H2,17,18,19)/t9-,10+,13+/m1/s1.
What are the key properties of 4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide?
4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide has a molecular weight of 333.40 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide is sourced from PubChem (CID 110144786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).