N-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide

C10H15N5O4 — CID 175520631

IUPACN-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(c(=O)[nH]1)NCN2CC(O)CO
InChIInChI=1S/C10H15N5O4/c1-5(17)12-10-13-8-7(9(19)14-10)11-4-15(8)2-6(18)3-16/h6,11,16,18H,2-4H2,1H3,(H2,12,13,14,17,19)
InChIKeyRCLBAWFMPODQGD-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.73
Rot. Bonds4

About N-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide

N-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide (PubChem CID 175520631) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide.

Molecular Properties

Compound NameN-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide
PubChem CID175520631
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC NameN-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(c(=O)[nH]1)NCN2CC(O)CO
InChIInChI=1S/C10H15N5O4/c1-5(17)12-10-13-8-7(9(19)14-10)11-4-15(8)2-6(18)3-16/h6,11,16,18H,2-4H2,1H3,(H2,12,13,14,17,19)
InChIKeyRCLBAWFMPODQGD-UHFFFAOYSA-N
XLogP-1.73
TPSA130.58 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide?
The IUPAC name of N-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide (CID 175520631) is N-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide.
What is the SMILES notation for N-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide?
The canonical SMILES for N-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide is CC(=O)Nc1nc2c(c(=O)[nH]1)NCN2CC(O)CO.
What is the InChIKey of N-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide?
The InChIKey is RCLBAWFMPODQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-5(17)12-10-13-8-7(9(19)14-10)11-4-15(8)2-6(18)3-16/h6,11,16,18H,2-4H2,1H3,(H2,12,13,14,17,19).
What are the key properties of N-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide?
N-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide has a molecular weight of 269.26 g/mol, XLogP of -1.73, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(2,3-dihydroxypropyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide is sourced from PubChem (CID 175520631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).