N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide

C14H21N5O5 — CID 3247687

IUPACN-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1=NC2C(N=CN2C2CC(O)C(CO)O2)C(=O)N1
InChIInChI=1S/C14H21N5O5/c1-6(2)12(22)17-14-16-11-10(13(23)18-14)15-5-19(11)9-3-7(21)8(4-20)24-9/h5-11,20-21H,3-4H2,1-2H3,(H2,16,17,18,22,23)
InChIKeyMEIUUKLRUSQJNH-UHFFFAOYSA-N
MW339.35 g/mol
LogP-2.25
Rot. Bonds3

About N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide

N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide (PubChem CID 3247687) has the molecular formula C14H21N5O5 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide
PubChem CID3247687
Molecular FormulaC14H21N5O5
Molecular Weight339.35 g/mol
Exact Mass339.15
IUPAC NameN-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1=NC2C(N=CN2C2CC(O)C(CO)O2)C(=O)N1
InChIInChI=1S/C14H21N5O5/c1-6(2)12(22)17-14-16-11-10(13(23)18-14)15-5-19(11)9-3-7(21)8(4-20)24-9/h5-11,20-21H,3-4H2,1-2H3,(H2,16,17,18,22,23)
InChIKeyMEIUUKLRUSQJNH-UHFFFAOYSA-N
XLogP-2.25
TPSA135.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide (CID 3247687) is N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide is CC(C)C(=O)NC1=NC2C(N=CN2C2CC(O)C(CO)O2)C(=O)N1.
What is the InChIKey of N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide?
The InChIKey is MEIUUKLRUSQJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O5/c1-6(2)12(22)17-14-16-11-10(13(23)18-14)15-5-19(11)9-3-7(21)8(4-20)24-9/h5-11,20-21H,3-4H2,1-2H3,(H2,16,17,18,22,23).
What are the key properties of N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide?
N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide has a molecular weight of 339.35 g/mol, XLogP of -2.25, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-4,5-dihydro-1H-purin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 3247687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).