4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one

C10H13N3O3 — CID 124674649

IUPAC4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one
SMILESC=C1O[C@H](n2cc(C)c(N)nc2=O)C[C@H]1O
InChIInChI=1S/C10H13N3O3/c1-5-4-13(10(15)12-9(5)11)8-3-7(14)6(2)16-8/h4,7-8,14H,2-3H2,1H3,(H2,11,12,15)/t7-,8+/m1/s1
InChIKeyDUAKOBBQWLIWNO-SFYZADRCSA-N
MW223.23 g/mol
LogP-0.07
Rot. Bonds1

About 4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one

4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one (PubChem CID 124674649) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one
PubChem CID124674649
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one
SMILESC=C1O[C@H](n2cc(C)c(N)nc2=O)C[C@H]1O
InChIInChI=1S/C10H13N3O3/c1-5-4-13(10(15)12-9(5)11)8-3-7(14)6(2)16-8/h4,7-8,14H,2-3H2,1H3,(H2,11,12,15)/t7-,8+/m1/s1
InChIKeyDUAKOBBQWLIWNO-SFYZADRCSA-N
XLogP-0.07
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;ethane
CID 144939654
4-amino-5-methyl-1-(3-oxo-1,3-oxathiolan-5-yl)pyrimidin-2-one
CID 59795749
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one
CID 171505178
4-amino-1-[(2R,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 57212120
4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 164835462
4-amino-1-[(5S,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)oxepan-2-yl]-5-methylpyrimidin-2-one
CID 24951111
1-[(4aS,6S,7aS)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d]trioxin-6-yl]-4-amino-5-methylpyrimidin-2-one
CID 87917568
[(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 165156020
4-amino-1-[(2S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 54292242
4-amino-1-[(2S,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 26433555
4-amino-1-[(3R,5R,7S)-4,8-dioxa-1,12,13-triazatricyclo[8.3.0.03,7]trideca-10,12-dien-5-yl]-5-methylpyrimidin-2-one
CID 57413917

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one (CID 124674649) is 4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one is C=C1O[C@H](n2cc(C)c(N)nc2=O)C[C@H]1O.
What is the InChIKey of 4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one?
The InChIKey is DUAKOBBQWLIWNO-SFYZADRCSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-5-4-13(10(15)12-9(5)11)8-3-7(14)6(2)16-8/h4,7-8,14H,2-3H2,1H3,(H2,11,12,15)/t7-,8+/m1/s1.
What are the key properties of 4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one?
4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one has a molecular weight of 223.23 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 124674649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).