1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol

C16H19N5O2 — CID 10403297

IUPAC1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol
SMILESCCC(O)Cn1cnc2c(OCc3ccccc3)nc(N)nc21
InChIInChI=1S/C16H19N5O2/c1-2-12(22)8-21-10-18-13-14(21)19-16(17)20-15(13)23-9-11-6-4-3-5-7-11/h3-7,10,12,22H,2,8-9H2,1H3,(H2,17,19,20)
InChIKeyUGCFIEDGNQZLMB-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.76
Rot. Bonds6

About 1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol

1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol (PubChem CID 10403297) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol
PubChem CID10403297
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol
SMILESCCC(O)Cn1cnc2c(OCc3ccccc3)nc(N)nc21
InChIInChI=1S/C16H19N5O2/c1-2-12(22)8-21-10-18-13-14(21)19-16(17)20-15(13)23-9-11-6-4-3-5-7-11/h3-7,10,12,22H,2,8-9H2,1H3,(H2,17,19,20)
InChIKeyUGCFIEDGNQZLMB-UHFFFAOYSA-N
XLogP1.76
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol?
The IUPAC name of 1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol (CID 10403297) is 1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol.
What is the SMILES notation for 1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol?
The canonical SMILES for 1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol is CCC(O)Cn1cnc2c(OCc3ccccc3)nc(N)nc21.
What is the InChIKey of 1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol?
The InChIKey is UGCFIEDGNQZLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-2-12(22)8-21-10-18-13-14(21)19-16(17)20-15(13)23-9-11-6-4-3-5-7-11/h3-7,10,12,22H,2,8-9H2,1H3,(H2,17,19,20).
What are the key properties of 1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol?
1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol has a molecular weight of 313.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-phenylmethoxypurin-9-yl)butan-2-ol is sourced from PubChem (CID 10403297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).