(2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol

C17H20ClN5O2 — CID 54040507

IUPAC(2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol
SMILESNc1nc(Cl)c2ncn(CC[C@H](CO)COCc3ccccc3)c2n1
InChIInChI=1S/C17H20ClN5O2/c18-15-14-16(22-17(19)21-15)23(11-20-14)7-6-13(8-24)10-25-9-12-4-2-1-3-5-12/h1-5,11,13,24H,6-10H2,(H2,19,21,22)/t13-/m1/s1
InChIKeyLLZDXDUKTPOXIF-CYBMUJFWSA-N
MW361.83 g/mol
LogP2.28
Rot. Bonds8

About (2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol

(2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol (PubChem CID 54040507) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is (2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol.

Molecular Properties

Compound Name(2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol
PubChem CID54040507
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name(2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol
SMILESNc1nc(Cl)c2ncn(CC[C@H](CO)COCc3ccccc3)c2n1
InChIInChI=1S/C17H20ClN5O2/c18-15-14-16(22-17(19)21-15)23(11-20-14)7-6-13(8-24)10-25-9-12-4-2-1-3-5-12/h1-5,11,13,24H,6-10H2,(H2,19,21,22)/t13-/m1/s1
InChIKeyLLZDXDUKTPOXIF-CYBMUJFWSA-N
XLogP2.28
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol with MolForge

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Related Compounds

2-amino-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]-1H-purin-6-one
CID 135671403
2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol
CID 10516417
6-chloro-9-[[(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]methyl]purin-2-amine
CID 100998128
[2-(acetyloxymethyl)-4-(6-chloro-2-methylpurin-9-yl)butyl] acetate
CID 59017604
2-(2-amino-6-chloropurin-9-yl)ethoxymethyl-[(2S)-3-octadecoxy-2-phenylmethoxypropoxy]phosphinic acid
CID 59801651
(2-amino-6-phenylmethoxypurin-9-yl)methanol
CID 91583081
[4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate
CID 164881878
[(2R,3R)-2-[(2-amino-6-chloropurin-9-yl)methoxy]-3,4-dibenzoyloxybutyl] benzoate
CID 90213158
6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine
CID 89315856
6-chloro-9-pentylpurin-2-amine
CID 139201177
[2-(acetyloxymethyl)-4-(2-amino-6-fluoropurin-9-yl)butyl] acetate
CID 15162788
4-(6-amino-2-chloropurin-9-yl)-2-ethylbutan-1-ol;ethane
CID 145388425

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol?
The IUPAC name of (2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol (CID 54040507) is (2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol.
What is the SMILES notation for (2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol?
The canonical SMILES for (2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol is Nc1nc(Cl)c2ncn(CC[C@H](CO)COCc3ccccc3)c2n1.
What is the InChIKey of (2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol?
The InChIKey is LLZDXDUKTPOXIF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c18-15-14-16(22-17(19)21-15)23(11-20-14)7-6-13(8-24)10-25-9-12-4-2-1-3-5-12/h1-5,11,13,24H,6-10H2,(H2,19,21,22)/t13-/m1/s1.
What are the key properties of (2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol?
(2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol has a molecular weight of 361.83 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol is sourced from PubChem (CID 54040507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).