2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide

C14H19N5O3 — CID 136601125

IUPAC2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc2c(ncn2[C@H]2CC[C@@H](C)O2)c(=O)[nH]1
InChIInChI=1S/C14H19N5O3/c1-7(2)12(20)17-14-16-11-10(13(21)18-14)15-6-19(11)9-5-4-8(3)22-9/h6-9H,4-5H2,1-3H3,(H2,16,17,18,20,21)/t8-,9-/m1/s1
InChIKeyBTWWSOSMNGJUGU-RKDXNWHRSA-N
MW305.34 g/mol
LogP1.41
Rot. Bonds3

About 2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide

2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide (PubChem CID 136601125) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide
PubChem CID136601125
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc2c(ncn2[C@H]2CC[C@@H](C)O2)c(=O)[nH]1
InChIInChI=1S/C14H19N5O3/c1-7(2)12(20)17-14-16-11-10(13(21)18-14)15-6-19(11)9-5-4-8(3)22-9/h6-9H,4-5H2,1-3H3,(H2,16,17,18,20,21)/t8-,9-/m1/s1
InChIKeyBTWWSOSMNGJUGU-RKDXNWHRSA-N
XLogP1.41
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[9-[(4S)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 140564436
[(2S,5R)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxyphosphonamidous acid
CID 154927053
N-[9-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 135708392
N-[9-[(2R,4S,5S)-4-hydroxy-5-(iodomethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 136675416
N-[9-[(3R,4R,5S)-4-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 167508867
[(2R,3S,5S)-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl] 2-methylpropanoate
CID 135896450
N-[9-[(4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 137249436
N-[9-[(3S,4R)-5-ethyl-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 137282289
S-[[(3S,5R)-3-hydroxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-ylidene]methyl] ethanethioate
CID 135976729
(2S,4S,5R)-3-hydroxy-4-methoxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolane-2-carboxylic acid
CID 166026691
N-[9-[(2R,3R,4S,5S)-4,5-dihydroxy-3-methoxyoxan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 167508895
[(2R,3S,5S)-3-hydroxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl 4-oxopentanoate
CID 135401504

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide (CID 136601125) is 2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide is CC(C)C(=O)Nc1nc2c(ncn2[C@H]2CC[C@@H](C)O2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide?
The InChIKey is BTWWSOSMNGJUGU-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-7(2)12(20)17-14-16-11-10(13(21)18-14)15-6-19(11)9-5-4-8(3)22-9/h6-9H,4-5H2,1-3H3,(H2,16,17,18,20,21)/t8-,9-/m1/s1.
What are the key properties of 2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide?
2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide has a molecular weight of 305.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide is sourced from PubChem (CID 136601125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).