4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one

C11H18N4O3 — CID 71210588

IUPAC4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one
SMILESCC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(OC)[C@H]1N
InChIInChI=1S/C11H18N4O3/c1-3-6-8(13)9(17-2)10(18-6)15-5-4-7(12)14-11(15)16/h4-6,8-10H,3,13H2,1-2H3,(H2,12,14,16)/t6-,8+,9?,10-/m1/s1
InChIKeyQNJRNTIPQGIRNX-UKUJCULDSA-N
MW254.29 g/mol
LogP-0.52
Rot. Bonds3

About 4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one (PubChem CID 71210588) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one
PubChem CID71210588
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one
SMILESCC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(OC)[C@H]1N
InChIInChI=1S/C11H18N4O3/c1-3-6-8(13)9(17-2)10(18-6)15-5-4-7(12)14-11(15)16/h4-6,8-10H,3,13H2,1-2H3,(H2,12,14,16)/t6-,8+,9?,10-/m1/s1
InChIKeyQNJRNTIPQGIRNX-UKUJCULDSA-N
XLogP-0.52
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 57300571
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67175693
4-amino-1-[(2R,3S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 58319627
4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one
CID 59223220
4-amino-1-[(2R,3R,4R,5R)-4-methoxy-5-(methoxymethyl)-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one
CID 161190731
4-amino-1-[(2R,4S,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidin-2-one
CID 58332720
[(2R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl dihydrogen phosphate
CID 143830951
4-amino-1-[(2R,5R)-5-ethyl-3-hydroxy-4-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]pyrimidin-2-one
CID 88877961
4-amino-1-[(4R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59721059
[5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid
CID 176953361
[(3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-octanoyloxyoxolan-2-yl]methyl octanoate
CID 58756499
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxymethyl-methylphosphinic acid
CID 70999496

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one (CID 71210588) is 4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one is CC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(OC)[C@H]1N.
What is the InChIKey of 4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one?
The InChIKey is QNJRNTIPQGIRNX-UKUJCULDSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-6-8(13)9(17-2)10(18-6)15-5-4-7(12)14-11(15)16/h4-6,8-10H,3,13H2,1-2H3,(H2,12,14,16)/t6-,8+,9?,10-/m1/s1.
What are the key properties of 4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one has a molecular weight of 254.29 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 71210588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).