4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one

C19H33N3O5 — CID 71261790

IUPAC4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCC[C@]1(COC(C)C)O[C@@H](n2cc(C)c(N)nc2=O)[C@H](OC)[C@@H]1OC(C)C
InChIInChI=1S/C19H33N3O5/c1-8-19(10-25-11(2)3)15(26-12(4)5)14(24-7)17(27-19)22-9-13(6)16(20)21-18(22)23/h9,11-12,14-15,17H,8,10H2,1-7H3,(H2,20,21,23)/t14-,15+,17-,19-/m1/s1
InChIKeyOCBYMYPEOJUZKS-LORHWOILSA-N
MW383.49 g/mol
LogP2.05
Rot. Bonds8

About 4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one

4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one (PubChem CID 71261790) has the molecular formula C19H33N3O5 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
PubChem CID71261790
Molecular FormulaC19H33N3O5
Molecular Weight383.49 g/mol
Exact Mass383.24
IUPAC Name4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCC[C@]1(COC(C)C)O[C@@H](n2cc(C)c(N)nc2=O)[C@H](OC)[C@@H]1OC(C)C
InChIInChI=1S/C19H33N3O5/c1-8-19(10-25-11(2)3)15(26-12(4)5)14(24-7)17(27-19)22-9-13(6)16(20)21-18(22)23/h9,11-12,14-15,17H,8,10H2,1-7H3,(H2,20,21,23)/t14-,15+,17-,19-/m1/s1
InChIKeyOCBYMYPEOJUZKS-LORHWOILSA-N
XLogP2.05
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one with MolForge

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Related Compounds

4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 156513859
4-amino-1-[5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 155454878
4-amino-1-[(2R,4S,5R)-5-(chloromethyl)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 174114270
4-amino-1-[(5R)-8-methoxy-5-(nitrosomethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidin-2-one
CID 166980066
4-amino-1-[(2R,3S,5R)-3-but-3-ynoxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 155657461
4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 159480028
[(1S,5R,7R)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-ethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] methyl hydrogen phosphate
CID 88936235
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,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 164835462
4-amino-1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidin-2-one;1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159514642
4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one
CID 144647523
4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 66725718

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one (CID 71261790) is 4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one is CC[C@]1(COC(C)C)O[C@@H](n2cc(C)c(N)nc2=O)[C@H](OC)[C@@H]1OC(C)C.
What is the InChIKey of 4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The InChIKey is OCBYMYPEOJUZKS-LORHWOILSA-N. The full InChI is InChI=1S/C19H33N3O5/c1-8-19(10-25-11(2)3)15(26-12(4)5)14(24-7)17(27-19)22-9-13(6)16(20)21-18(22)23/h9,11-12,14-15,17H,8,10H2,1-7H3,(H2,20,21,23)/t14-,15+,17-,19-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one has a molecular weight of 383.49 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3-methoxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 71261790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).