4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one

C10H15N3O3 — CID 174252906

IUPAC4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCOCC1CC[C@H](n2ccc(N)nc2=O)O1
InChIInChI=1S/C10H15N3O3/c1-15-6-7-2-3-9(16-7)13-5-4-8(11)12-10(13)14/h4-5,7,9H,2-3,6H2,1H3,(H2,11,12,14)/t7?,9-/m1/s1
InChIKeyPTDCXZCVODSEBE-NHSZFOGYSA-N
MW225.25 g/mol
LogP0.15
Rot. Bonds3

About 4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 174252906) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID174252906
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCOCC1CC[C@H](n2ccc(N)nc2=O)O1
InChIInChI=1S/C10H15N3O3/c1-15-6-7-2-3-9(16-7)13-5-4-8(11)12-10(13)14/h4-5,7,9H,2-3,6H2,1H3,(H2,11,12,14)/t7?,9-/m1/s1
InChIKeyPTDCXZCVODSEBE-NHSZFOGYSA-N
XLogP0.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 174252906) is 4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one is COCC1CC[C@H](n2ccc(N)nc2=O)O1.
What is the InChIKey of 4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is PTDCXZCVODSEBE-NHSZFOGYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-15-6-7-2-3-9(16-7)13-5-4-8(11)12-10(13)14/h4-5,7,9H,2-3,6H2,1H3,(H2,11,12,14)/t7?,9-/m1/s1.
What are the key properties of 4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 225.25 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 174252906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).