[9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride

C14H16ClN5O — CID 11044960

IUPAC[9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride
SMILESC[NH2+]c1ncnc2c1ncn2C(CO)c1ccccc1.[Cl-]
InChIInChI=1S/C14H15N5O.ClH/c1-15-13-12-14(17-8-16-13)19(9-18-12)11(7-20)10-5-3-2-4-6-10;/h2-6,8-9,11,20H,7H2,1H3,(H,15,16,17);1H
InChIKeyWXXHYKRFQAAHCD-UHFFFAOYSA-N
MW305.77 g/mol
LogP-2.76
Rot. Bonds4

About [9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride

[9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride (PubChem CID 11044960) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is [9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride.

Molecular Properties

Compound Name[9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride
PubChem CID11044960
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name[9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride
SMILESC[NH2+]c1ncnc2c1ncn2C(CO)c1ccccc1.[Cl-]
InChIInChI=1S/C14H15N5O.ClH/c1-15-13-12-14(17-8-16-13)19(9-18-12)11(7-20)10-5-3-2-4-6-10;/h2-6,8-9,11,20H,7H2,1H3,(H,15,16,17);1H
InChIKeyWXXHYKRFQAAHCD-UHFFFAOYSA-N
XLogP-2.76
TPSA80.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 5-2.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol
CID 44565856
2-[(6-chloropurin-9-yl)-phenylmethyl]prop-2-en-1-ol
CID 164617358
N-(9-benzhydrylpurin-6-yl)hydroxylamine
CID 53427874
6-methoxy-9-(1-phenylethyl)purine
CID 102458485
6-chloro-9-[(1R)-1-phenylprop-2-enyl]purine
CID 101478561
6-benzylsulfanyl-9-propan-2-ylpurine
CID 71424669
6-chloro-9-(1-phenylpropan-2-yl)purine
CID 21152107
2-(2-methylazetidin-1-yl)-2-phenylethanol
CID 104549553
2-(6-aminopurin-9-yl)pentane-1,4-diol
CID 58657770
(2S,3S)-3-naphthalen-1-yl-3-(6-piperidin-1-ylpurin-9-yl)propane-1,2-diol
CID 163895651
(2R,3R)-2-[6-[1-(4-methoxyphenyl)ethyl-methylamino]purin-9-yl]butane-1,3-diol
CID 167879568
[5-phenoxy-2-(9-propan-2-ylpurin-6-yl)phenyl]methanol
CID 177428037

Frequently Asked Questions

What is the IUPAC name of [9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride?
The IUPAC name of [9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride (CID 11044960) is [9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride.
What is the SMILES notation for [9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride?
The canonical SMILES for [9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride is C[NH2+]c1ncnc2c1ncn2C(CO)c1ccccc1.[Cl-].
What is the InChIKey of [9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride?
The InChIKey is WXXHYKRFQAAHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O.ClH/c1-15-13-12-14(17-8-16-13)19(9-18-12)11(7-20)10-5-3-2-4-6-10;/h2-6,8-9,11,20H,7H2,1H3,(H,15,16,17);1H.
What are the key properties of [9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride?
[9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride has a molecular weight of 305.77 g/mol, XLogP of -2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride is sourced from PubChem (CID 11044960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).