2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one

C10H16N6O3 — CID 167111296

IUPAC2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one
SMILESNc1nc2c(c(=O)[nH]1)NCN2C1CNCC(CO)O1
InChIInChI=1S/C10H16N6O3/c11-10-14-8-7(9(18)15-10)13-4-16(8)6-2-12-1-5(3-17)19-6/h5-6,12-13,17H,1-4H2,(H3,11,14,15,18)
InChIKeyXDZKYNQZRSAZFS-UHFFFAOYSA-N
MW268.28 g/mol
LogP-2.15
Rot. Bonds2

About 2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one

2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one (PubChem CID 167111296) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one
PubChem CID167111296
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one
SMILESNc1nc2c(c(=O)[nH]1)NCN2C1CNCC(CO)O1
InChIInChI=1S/C10H16N6O3/c11-10-14-8-7(9(18)15-10)13-4-16(8)6-2-12-1-5(3-17)19-6/h5-6,12-13,17H,1-4H2,(H3,11,14,15,18)
InChIKeyXDZKYNQZRSAZFS-UHFFFAOYSA-N
XLogP-2.15
TPSA128.53 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-2.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-9-[4-butyl-6-(hydroxymethyl)morpholin-2-yl]-7-prop-2-enyl-1H-purine-6,8-dione
CID 136076475
2-amino-9-[1-hydroxy-2-(3-hydroxypropoxy)ethyl]-7,8-dihydro-1H-purin-6-one
CID 136360810
2-amino-9-[1-(2-hydroxyethoxy)-2-propan-2-yloxyethyl]-7,8-dihydro-1H-purin-6-one
CID 136428857
2-amino-9-[[3-(hydroxymethyl)oxiran-2-yl]methyl]-7,8-dihydro-1H-purin-6-one
CID 136472773
2-amino-9-(2,3-dihydroxypropyl)-7,8-dihydro-1H-purin-6-one
CID 136474906
2,8-diamino-9-(1,4-dioxan-2-ylmethyl)-7,8-dihydro-1H-purin-6-one;dihydrochloride
CID 136475199
2-amino-9-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-7,8-dihydro-1H-purin-6-one
CID 136479195
[(2S,6R)-6-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-4-methylmorpholin-2-yl]methyl dihydrogen phosphate
CID 137221553
2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one
CID 167063297
[6-(6-Amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol
CID 167109578
[(6R)-6-(6-amino-3,6,7,8-tetrahydropurin-9-yl)morpholin-2-yl]methanol
CID 167126149
2-amino-9-[3-hydroxy-2-(phosphanylmethoxy)propyl]-7,8-dihydro-1H-purin-6-one
CID 175173640

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one?
The IUPAC name of 2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one (CID 167111296) is 2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one is Nc1nc2c(c(=O)[nH]1)NCN2C1CNCC(CO)O1.
What is the InChIKey of 2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one?
The InChIKey is XDZKYNQZRSAZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c11-10-14-8-7(9(18)15-10)13-4-16(8)6-2-12-1-5(3-17)19-6/h5-6,12-13,17H,1-4H2,(H3,11,14,15,18).
What are the key properties of 2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one?
2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one has a molecular weight of 268.28 g/mol, XLogP of -2.15, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[6-(hydroxymethyl)morpholin-2-yl]-7,8-dihydro-1H-purin-6-one is sourced from PubChem (CID 167111296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).