(2-amino-6-phenylmethoxypurin-9-yl)methanol

C13H13N5O2 — CID 91583081

IUPAC(2-amino-6-phenylmethoxypurin-9-yl)methanol
SMILESNc1nc(OCc2ccccc2)c2ncn(CO)c2n1
InChIInChI=1S/C13H13N5O2/c14-13-16-11-10(15-7-18(11)8-19)12(17-13)20-6-9-4-2-1-3-5-9/h1-5,7,19H,6,8H2,(H2,14,16,17)
InChIKeyCTGPBIVLSDMVBL-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.94
Rot. Bonds4

About (2-amino-6-phenylmethoxypurin-9-yl)methanol

(2-amino-6-phenylmethoxypurin-9-yl)methanol (PubChem CID 91583081) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is (2-amino-6-phenylmethoxypurin-9-yl)methanol.

Molecular Properties

Compound Name(2-amino-6-phenylmethoxypurin-9-yl)methanol
PubChem CID91583081
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name(2-amino-6-phenylmethoxypurin-9-yl)methanol
SMILESNc1nc(OCc2ccccc2)c2ncn(CO)c2n1
InChIInChI=1S/C13H13N5O2/c14-13-16-11-10(15-7-18(11)8-19)12(17-13)20-6-9-4-2-1-3-5-9/h1-5,7,19H,6,8H2,(H2,14,16,17)
InChIKeyCTGPBIVLSDMVBL-UHFFFAOYSA-N
XLogP0.94
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate
CID 10425718
(2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol
CID 67451064
9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine
CID 11801419
(2R,4R,5R)-2-(2-amino-6-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 71313823
[4-[(2-amino-9-iodopurin-6-yl)oxymethyl]phenyl]methanol
CID 176574929
(3S)-4-(2-amino-6-phenylmethoxypurin-9-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 101219528
9-[2-(2-diethoxyphosphorylpropan-2-yloxy)ethyl]-6-phenylmethoxypurin-2-amine
CID 15667236
3-[3-(2-amino-6-phenylmethoxypurin-9-yl)propyl]-1-(2-chloroethyl)-1-nitrosourea
CID 86342466
6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine
CID 177172491
2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-methylphosphinic acid;9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]-6-methoxypurin-2-amine
CID 160868861
6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine
CID 70395886
(2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol
CID 54040507

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-phenylmethoxypurin-9-yl)methanol?
The IUPAC name of (2-amino-6-phenylmethoxypurin-9-yl)methanol (CID 91583081) is (2-amino-6-phenylmethoxypurin-9-yl)methanol.
What is the SMILES notation for (2-amino-6-phenylmethoxypurin-9-yl)methanol?
The canonical SMILES for (2-amino-6-phenylmethoxypurin-9-yl)methanol is Nc1nc(OCc2ccccc2)c2ncn(CO)c2n1.
What is the InChIKey of (2-amino-6-phenylmethoxypurin-9-yl)methanol?
The InChIKey is CTGPBIVLSDMVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c14-13-16-11-10(15-7-18(11)8-19)12(17-13)20-6-9-4-2-1-3-5-9/h1-5,7,19H,6,8H2,(H2,14,16,17).
What are the key properties of (2-amino-6-phenylmethoxypurin-9-yl)methanol?
(2-amino-6-phenylmethoxypurin-9-yl)methanol has a molecular weight of 271.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-phenylmethoxypurin-9-yl)methanol is sourced from PubChem (CID 91583081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).