2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one

C10H14N6O3 — CID 174151062

IUPAC2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one
SMILESNc1nc2c(ncn2C2CO[C@H](CO)CN2)c(=O)[nH]1
InChIInChI=1S/C10H14N6O3/c11-10-14-8-7(9(18)15-10)13-4-16(8)6-3-19-5(2-17)1-12-6/h4-6,12,17H,1-3H2,(H3,11,14,15,18)/t5-,6?/m0/s1
InChIKeyARYQCTRMFUMGOT-ZBHICJROSA-N
MW266.26 g/mol
LogP-1.82
Rot. Bonds2

About 2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one

2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one (PubChem CID 174151062) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one
PubChem CID174151062
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one
SMILESNc1nc2c(ncn2C2CO[C@H](CO)CN2)c(=O)[nH]1
InChIInChI=1S/C10H14N6O3/c11-10-14-8-7(9(18)15-10)13-4-16(8)6-3-19-5(2-17)1-12-6/h4-6,12,17H,1-3H2,(H3,11,14,15,18)/t5-,6?/m0/s1
InChIKeyARYQCTRMFUMGOT-ZBHICJROSA-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,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one
CID 135565717
2-amino-9-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135499692
2-amino-9-[(5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1H-purin-6-one
CID 137240768
2-amino-9-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-purin-6-one
CID 135457959
2-amino-9-[(1R,5S)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hexanyl]-1H-purin-6-one
CID 135400904
2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
CID 136880790
2-amino-9-[(2R,3R,4R)-3-hydroxy-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135797824
2-[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]ethanethiolate
CID 142535862
2-amino-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
CID 135403630
2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
CID 135424607
2-amino-9-[(2R,4S,5R)-4-aminooxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135756377
2-amino-9-[3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
CID 137138622

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one (CID 174151062) is 2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one is Nc1nc2c(ncn2C2CO[C@H](CO)CN2)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one?
The InChIKey is ARYQCTRMFUMGOT-ZBHICJROSA-N. The full InChI is InChI=1S/C10H14N6O3/c11-10-14-8-7(9(18)15-10)13-4-16(8)6-3-19-5(2-17)1-12-6/h4-6,12,17H,1-3H2,(H3,11,14,15,18)/t5-,6?/m0/s1.
What are the key properties of 2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one?
2-amino-9-[(6S)-6-(hydroxymethyl)morpholin-3-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-[(6S)-6-(hydroxymethyl)morpholin-3-yl]-1H-purin-6-one is sourced from PubChem (CID 174151062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).