4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one

C11H17N3O2 — CID 164835462

IUPAC4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCC[C@@H]1CC[C@H](n2cc(C)c(N)nc2=O)O1
InChIInChI=1S/C11H17N3O2/c1-3-8-4-5-9(16-8)14-6-7(2)10(12)13-11(14)15/h6,8-9H,3-5H2,1-2H3,(H2,12,13,15)/t8-,9-/m1/s1
InChIKeyZKQHGDOJRYADDY-RKDXNWHRSA-N
MW223.28 g/mol
LogP1.22
Rot. Bonds2

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

4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one (PubChem CID 164835462) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one
PubChem CID164835462
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCC[C@@H]1CC[C@H](n2cc(C)c(N)nc2=O)O1
InChIInChI=1S/C11H17N3O2/c1-3-8-4-5-9(16-8)14-6-7(2)10(12)13-11(14)15/h6,8-9H,3-5H2,1-2H3,(H2,12,13,15)/t8-,9-/m1/s1
InChIKeyZKQHGDOJRYADDY-RKDXNWHRSA-N
XLogP1.22
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(5S,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)oxepan-2-yl]-5-methylpyrimidin-2-one
CID 24951111
4-amino-5-methyl-1-[(2R,5S)-5-[(2-nitrophenyl)selanylmethyl]oxolan-2-yl]pyrimidin-2-one
CID 88611297
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975
4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 118151131
[[(2S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-[dihydroxyphosphinothioyl(difluoro)methyl]phosphinic acid
CID 11685987
4-amino-5-methyl-1-(3-oxo-1,3-oxathiolan-5-yl)pyrimidin-2-one
CID 59795749
4-amino-5-[(E)-3-aminoprop-1-enyl]-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 139418551
4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
CID 139418555
4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 139418545
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;ethane
CID 144939654

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one (CID 164835462) is 4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one is CC[C@@H]1CC[C@H](n2cc(C)c(N)nc2=O)O1.
What is the InChIKey of 4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one?
The InChIKey is ZKQHGDOJRYADDY-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-8-4-5-9(16-8)14-6-7(2)10(12)13-11(14)15/h6,8-9H,3-5H2,1-2H3,(H2,12,13,15)/t8-,9-/m1/s1.
What are the key properties of 4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one?
4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one has a molecular weight of 223.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 164835462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).