4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one

C11H15N3O5 — CID 144647523

IUPAC4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one
SMILESCOC1C(O)=C(CO)O[C@H]1n1cc(C)c(N)nc1=O
InChIInChI=1S/C11H15N3O5/c1-5-3-14(11(17)13-9(5)12)10-8(18-2)7(16)6(4-15)19-10/h3,8,10,15-16H,4H2,1-2H3,(H2,12,13,17)/t8?,10-/m1/s1
InChIKeyQGFIYUWRYYPQTM-LHIURRSHSA-N
MW269.26 g/mol
LogP-0.56
Rot. Bonds3

About 4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one

4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one (PubChem CID 144647523) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one
PubChem CID144647523
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one
SMILESCOC1C(O)=C(CO)O[C@H]1n1cc(C)c(N)nc1=O
InChIInChI=1S/C11H15N3O5/c1-5-3-14(11(17)13-9(5)12)10-8(18-2)7(16)6(4-15)19-10/h3,8,10,15-16H,4H2,1-2H3,(H2,12,13,17)/t8?,10-/m1/s1
InChIKeyQGFIYUWRYYPQTM-LHIURRSHSA-N
XLogP-0.56
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-1-[5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 155454878
4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one
CID 163296354
4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 156513859
4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylperoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 175232169
4-amino-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 97311787
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;phosphoric acid
CID 71239319
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;trihydroxy(sulfanylidene)-λ5-phosphane
CID 121380323
4-amino-1-[(2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;hydrochloride
CID 70466663
4-amino-1-[(1S,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one
CID 52946596
4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 66725718
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
[(2R,3S,4R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;azane
CID 131845132

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one (CID 144647523) is 4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one is COC1C(O)=C(CO)O[C@H]1n1cc(C)c(N)nc1=O.
What is the InChIKey of 4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one?
The InChIKey is QGFIYUWRYYPQTM-LHIURRSHSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-5-3-14(11(17)13-9(5)12)10-8(18-2)7(16)6(4-15)19-10/h3,8,10,15-16H,4H2,1-2H3,(H2,12,13,17)/t8?,10-/m1/s1.
What are the key properties of 4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one?
4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one has a molecular weight of 269.26 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 144647523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).