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

C11H17N3O6 — CID 132608877

IUPAC4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(CO)c(N)nc1=O
InChIInChI=1S/C11H17N3O6/c1-19-8-7(17)6(4-16)20-10(8)14-2-5(3-15)9(12)13-11(14)18/h2,6-8,10,15-17H,3-4H2,1H3,(H2,12,13,18)/t6-,7-,8-,10-/m1/s1
InChIKeyYHOUCWSAAAAILW-FDDDBJFASA-N
MW287.27 g/mol
LogP-2.42
Rot. Bonds4

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

4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one (PubChem CID 132608877) has the molecular formula C11H17N3O6 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
PubChem CID132608877
Molecular FormulaC11H17N3O6
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC Name4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(CO)c(N)nc1=O
InChIInChI=1S/C11H17N3O6/c1-19-8-7(17)6(4-16)20-10(8)14-2-5(3-15)9(12)13-11(14)18/h2,6-8,10,15-17H,3-4H2,1H3,(H2,12,13,18)/t6-,7-,8-,10-/m1/s1
InChIKeyYHOUCWSAAAAILW-FDDDBJFASA-N
XLogP-2.42
TPSA140.06 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-2.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

5-Methylcytidine
CID 92918
5-Fluorocytidine
CID 16861
3'-Azido-2',3'-dideoxy-5-methylcytidine
CID 64986
5-Methyl-2'-deoxycytidine
CID 440055
5-Methylcytidylic acid
CID 192785
5-Hydroxymethyldeoxycytidine monophosphate
CID 169016
2'-O-Methylcytidine
CID 150971
5-Trifluoromethyl-2'-deoxycytidine
CID 125618
2',3'-Dideoxy-5-methylcytidine
CID 72251
5-Fluorocytosine arabinoside
CID 352938
4-Amino-5-chloro-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 421628
1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethylcytosine
CID 514804

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one (CID 132608877) is 4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one is CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(CO)c(N)nc1=O.
What is the InChIKey of 4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one?
The InChIKey is YHOUCWSAAAAILW-FDDDBJFASA-N. The full InChI is InChI=1S/C11H17N3O6/c1-19-8-7(17)6(4-16)20-10(8)14-2-5(3-15)9(12)13-11(14)18/h2,6-8,10,15-17H,3-4H2,1H3,(H2,12,13,18)/t6-,7-,8-,10-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one?
4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one has a molecular weight of 287.27 g/mol, XLogP of -2.42, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one is sourced from PubChem (CID 132608877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).