1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione

C14H15ClN2O5 — CID 22362063

IUPAC1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione
SMILESCOCCC1=NC(=O)CC(=O)N1Oc1cc(OC)ccc1Cl
InChIInChI=1S/C14H15ClN2O5/c1-20-6-5-12-16-13(18)8-14(19)17(12)22-11-7-9(21-2)3-4-10(11)15/h3-4,7H,5-6,8H2,1-2H3
InChIKeySPVUKCAUJUWPBV-UHFFFAOYSA-N
MW326.74 g/mol
LogP1.84
Rot. Bonds6

About 1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione

1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione (PubChem CID 22362063) has the molecular formula C14H15ClN2O5 and a molecular weight of 326.74 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione.

Molecular Properties

Compound Name1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione
PubChem CID22362063
Molecular FormulaC14H15ClN2O5
Molecular Weight326.74 g/mol
Exact Mass326.07
IUPAC Name1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione
SMILESCOCCC1=NC(=O)CC(=O)N1Oc1cc(OC)ccc1Cl
InChIInChI=1S/C14H15ClN2O5/c1-20-6-5-12-16-13(18)8-14(19)17(12)22-11-7-9(21-2)3-4-10(11)15/h3-4,7H,5-6,8H2,1-2H3
InChIKeySPVUKCAUJUWPBV-UHFFFAOYSA-N
XLogP1.84
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione?
The IUPAC name of 1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione (CID 22362063) is 1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione.
What is the SMILES notation for 1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione?
The canonical SMILES for 1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione is COCCC1=NC(=O)CC(=O)N1Oc1cc(OC)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione?
The InChIKey is SPVUKCAUJUWPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O5/c1-20-6-5-12-16-13(18)8-14(19)17(12)22-11-7-9(21-2)3-4-10(11)15/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione?
1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione has a molecular weight of 326.74 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine-4,6-dione is sourced from PubChem (CID 22362063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).