pyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate

C9H10N2O3 — CID 175254644

IUPACpyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate
SMILESC=C(COC)C(=O)Oc1ncccn1
InChIInChI=1S/C9H10N2O3/c1-7(6-13-2)8(12)14-9-10-4-3-5-11-9/h3-5H,1,6H2,2H3
InChIKeyHAIZHZBGGRMKDF-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.58
Rot. Bonds4

About pyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate

pyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate (PubChem CID 175254644) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is pyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate.

Molecular Properties

Compound Namepyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate
PubChem CID175254644
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Namepyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate
SMILESC=C(COC)C(=O)Oc1ncccn1
InChIInChI=1S/C9H10N2O3/c1-7(6-13-2)8(12)14-9-10-4-3-5-11-9/h3-5H,1,6H2,2H3
InChIKeyHAIZHZBGGRMKDF-UHFFFAOYSA-N
XLogP0.58
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate?
The IUPAC name of pyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate (CID 175254644) is pyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate.
What is the SMILES notation for pyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate?
The canonical SMILES for pyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate is C=C(COC)C(=O)Oc1ncccn1.
What is the InChIKey of pyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate?
The InChIKey is HAIZHZBGGRMKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-7(6-13-2)8(12)14-9-10-4-3-5-11-9/h3-5H,1,6H2,2H3.
What are the key properties of pyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate?
pyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate has a molecular weight of 194.19 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate is sourced from PubChem (CID 175254644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).