2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride

C7H11ClN6O — CID 162422020

IUPAC2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
SMILESCl.NCCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H10N6O.ClH/c8-1-2-13-3-10-4-5(13)11-7(9)12-6(4)14;/h3H,1-2,8H2,(H3,9,11,12,14);1H
InChIKeyZCIRWUUAJIDZMH-UHFFFAOYSA-N
MW230.66 g/mol
LogP-0.92
Rot. Bonds2

About 2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride

2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride (PubChem CID 162422020) has the molecular formula C7H11ClN6O and a molecular weight of 230.66 g/mol. Its IUPAC name is 2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride.

Molecular Properties

Compound Name2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
PubChem CID162422020
Molecular FormulaC7H11ClN6O
Molecular Weight230.66 g/mol
Exact Mass230.07
IUPAC Name2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
SMILESCl.NCCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H10N6O.ClH/c8-1-2-13-3-10-4-5(13)11-7(9)12-6(4)14;/h3H,1-2,8H2,(H3,9,11,12,14);1H
InChIKeyZCIRWUUAJIDZMH-UHFFFAOYSA-N
XLogP-0.92
TPSA115.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-9-ethyl-1H-purin-6-one
CID 135415584
2-amino-9-(3,3-dibromopropyl)-1H-purin-6-one
CID 175411910
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
CID 153365638
2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one
CID 135415593
2-amino-9-octyl-1H-purin-6-one
CID 135415590
2-amino-9-[12-(2-amino-6-oxo-1H-purin-9-yl)dodeca-5,7-diynyl]-1H-purin-6-one
CID 136682581
2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one
CID 135465380
4-(2-amino-6-oxo-1H-purin-9-yl)butylphosphonic acid
CID 135972449
2-amino-9-[(3R)-3-fluoro-4-hydroxybutyl]-1H-purin-6-one
CID 136756733
2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one
CID 173024562
2-amino-9-(2-pyridin-3-ylethyl)-1H-purin-6-one
CID 136934425
2-amino-9-[3-((19F)fluoromethyl)-4-hydroxybutyl]-1H-purin-6-one
CID 136771556

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride?
The IUPAC name of 2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride (CID 162422020) is 2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride.
What is the SMILES notation for 2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride?
The canonical SMILES for 2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride is Cl.NCCn1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride?
The InChIKey is ZCIRWUUAJIDZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O.ClH/c8-1-2-13-3-10-4-5(13)11-7(9)12-6(4)14;/h3H,1-2,8H2,(H3,9,11,12,14);1H.
What are the key properties of 2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride?
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride has a molecular weight of 230.66 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride is sourced from PubChem (CID 162422020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).