2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one

C12H17N5O2 — CID 135426586

IUPAC2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one
SMILESNc1nc2c(ncn2CC2CCC(CO)C2)c(=O)[nH]1
InChIInChI=1S/C12H17N5O2/c13-12-15-10-9(11(19)16-12)14-6-17(10)4-7-1-2-8(3-7)5-18/h6-8,18H,1-5H2,(H3,13,15,16,19)
InChIKeyZAECLQDHGPTZFV-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.11
Rot. Bonds3

About 2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one

2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one (PubChem CID 135426586) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one
PubChem CID135426586
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one
SMILESNc1nc2c(ncn2CC2CCC(CO)C2)c(=O)[nH]1
InChIInChI=1S/C12H17N5O2/c13-12-15-10-9(11(19)16-12)14-6-17(10)4-7-1-2-8(3-7)5-18/h6-8,18H,1-5H2,(H3,13,15,16,19)
InChIKeyZAECLQDHGPTZFV-UHFFFAOYSA-N
XLogP0.11
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-9-[[(2S)-2-(hydroxymethyl)cyclohexyl]methyl]-1H-purin-6-one
CID 135625260
2-amino-9-[[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]methyl]-1H-purin-6-one
CID 135993345
2-amino-9-[[2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methyl]-1H-purin-6-one
CID 135856504
2-amino-9-[[(1R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-1H-purin-6-one
CID 163682461
2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one
CID 174463450
2-amino-9-(3,4-dihydro-2H-pyran-2-ylmethyl)-1H-purin-6-one
CID 136771347
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
CID 153365638
2-amino-9-[(1R,5R)-5-(hydroxymethyl)cyclohex-2-en-1-yl]-1H-purin-6-one
CID 135442248
2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one
CID 135415593
[2-[(2-amino-6-oxo-1H-purin-9-yl)methyl]cyclohexyl]methyl propanoate
CID 135992578
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one (CID 135426586) is 2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one is Nc1nc2c(ncn2CC2CCC(CO)C2)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one?
The InChIKey is ZAECLQDHGPTZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-12-15-10-9(11(19)16-12)14-6-17(10)4-7-1-2-8(3-7)5-18/h6-8,18H,1-5H2,(H3,13,15,16,19).
What are the key properties of 2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one?
2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one has a molecular weight of 263.30 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one is sourced from PubChem (CID 135426586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).