2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one

C10H14N6O3 — CID 135565717

IUPAC2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one
SMILESNc1nc2c(ncn2[C@H]2CNC[C@@H](CO)O2)c(=O)[nH]1
InChIInChI=1S/C10H14N6O3/c11-10-14-8-7(9(18)15-10)13-4-16(8)6-2-12-1-5(3-17)19-6/h4-6,12,17H,1-3H2,(H3,11,14,15,18)/t5-,6+/m0/s1
InChIKeyKPTLNRLVEMSHSQ-NTSWFWBYSA-N
MW266.26 g/mol
LogP-1.82
Rot. Bonds2

About 2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one

2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one (PubChem CID 135565717) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one
PubChem CID135565717
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one
SMILESNc1nc2c(ncn2[C@H]2CNC[C@@H](CO)O2)c(=O)[nH]1
InChIInChI=1S/C10H14N6O3/c11-10-14-8-7(9(18)15-10)13-4-16(8)6-2-12-1-5(3-17)19-6/h4-6,12,17H,1-3H2,(H3,11,14,15,18)/t5-,6+/m0/s1
InChIKeyKPTLNRLVEMSHSQ-NTSWFWBYSA-N
XLogP-1.82
TPSA131.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-9-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-purin-6-one
CID 135457959
2-amino-9-[(2R,4S,5R)-4-aminooxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135756377
2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one
CID 174151062
2-amino-9-[(2R,4S,5R)-5-deuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136644173
2-amino-9-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135499692
2-amino-9-[5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-1H-purin-6-one
CID 136931549
2-amino-9-[(2R,5R)-5-(hydroxymethyl)-4-phosphanyloxyoxolan-2-yl]-1H-purin-6-one
CID 137213035
2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one
CID 137213095
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;phosphoric acid
CID 161404625
2-amino-9-[(2R,4S,5S)-4-(fluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136928999
[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-sulfanylphosphinous acid
CID 170608283
2-amino-9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135433653

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one (CID 135565717) is 2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one is Nc1nc2c(ncn2[C@H]2CNC[C@@H](CO)O2)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one?
The InChIKey is KPTLNRLVEMSHSQ-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H14N6O3/c11-10-14-8-7(9(18)15-10)13-4-16(8)6-2-12-1-5(3-17)19-6/h4-6,12,17H,1-3H2,(H3,11,14,15,18)/t5-,6+/m0/s1.
What are the key properties of 2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one?
2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one has a molecular weight of 266.26 g/mol, XLogP of -1.82, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one is sourced from PubChem (CID 135565717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).