(2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol

C16H19N5O3 — CID 67451064

IUPAC(2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)Cn1cnc2c(OCc3ccccc3)nc(N)nc21
InChIInChI=1S/C16H19N5O3/c1-23-9-12(22)7-21-10-18-13-14(21)19-16(17)20-15(13)24-8-11-5-3-2-4-6-11/h2-6,10,12,22H,7-9H2,1H3,(H2,17,19,20)/t12-/m0/s1
InChIKeyMQCWYMKQFZGBSR-LBPRGKRZSA-N
MW329.36 g/mol
LogP0.99
Rot. Bonds7

About (2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol

(2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol (PubChem CID 67451064) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol
PubChem CID67451064
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)Cn1cnc2c(OCc3ccccc3)nc(N)nc21
InChIInChI=1S/C16H19N5O3/c1-23-9-12(22)7-21-10-18-13-14(21)19-16(17)20-15(13)24-8-11-5-3-2-4-6-11/h2-6,10,12,22H,7-9H2,1H3,(H2,17,19,20)/t12-/m0/s1
InChIKeyMQCWYMKQFZGBSR-LBPRGKRZSA-N
XLogP0.99
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol?
The IUPAC name of (2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol (CID 67451064) is (2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol.
What is the SMILES notation for (2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol?
The canonical SMILES for (2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol is COC[C@@H](O)Cn1cnc2c(OCc3ccccc3)nc(N)nc21.
What is the InChIKey of (2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol?
The InChIKey is MQCWYMKQFZGBSR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-23-9-12(22)7-21-10-18-13-14(21)19-16(17)20-15(13)24-8-11-5-3-2-4-6-11/h2-6,10,12,22H,7-9H2,1H3,(H2,17,19,20)/t12-/m0/s1.
What are the key properties of (2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol?
(2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol has a molecular weight of 329.36 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol is sourced from PubChem (CID 67451064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).