4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one

C9H13N3O2 — CID 59859735

IUPAC4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one
SMILESC[C@@H]1CC[C@H](n2ccc(N)nc2=O)O1
InChIInChI=1S/C9H13N3O2/c1-6-2-3-8(14-6)12-5-4-7(10)11-9(12)13/h4-6,8H,2-3H2,1H3,(H2,10,11,13)/t6-,8-/m1/s1
InChIKeyLUQDPHKLUKPHKK-HTRCEHHLSA-N
MW195.22 g/mol
LogP0.52
Rot. Bonds1

About 4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one (PubChem CID 59859735) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one
PubChem CID59859735
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one
SMILESC[C@@H]1CC[C@H](n2ccc(N)nc2=O)O1
InChIInChI=1S/C9H13N3O2/c1-6-2-3-8(14-6)12-5-4-7(10)11-9(12)13/h4-6,8H,2-3H2,1H3,(H2,10,11,13)/t6-,8-/m1/s1
InChIKeyLUQDPHKLUKPHKK-HTRCEHHLSA-N
XLogP0.52
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one (CID 59859735) is 4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one is C[C@@H]1CC[C@H](n2ccc(N)nc2=O)O1.
What is the InChIKey of 4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is LUQDPHKLUKPHKK-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-2-3-8(14-6)12-5-4-7(10)11-9(12)13/h4-6,8H,2-3H2,1H3,(H2,10,11,13)/t6-,8-/m1/s1.
What are the key properties of 4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.52, 1 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-methyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 59859735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).