5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

C14H15ClN2O4 — CID 10244911

IUPAC5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCCO)cc1Cc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O4/c15-12-3-1-2-10(7-12)6-11-8-17(9-21-5-4-18)14(20)16-13(11)19/h1-3,7-8,18H,4-6,9H2,(H,16,19,20)
InChIKeyNEBAZSCNNDDVJX-UHFFFAOYSA-N
MW310.74 g/mol
LogP0.75
Rot. Bonds6

About 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione (PubChem CID 10244911) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
PubChem CID10244911
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCCO)cc1Cc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O4/c15-12-3-1-2-10(7-12)6-11-8-17(9-21-5-4-18)14(20)16-13(11)19/h1-3,7-8,18H,4-6,9H2,(H,16,19,20)
InChIKeyNEBAZSCNNDDVJX-UHFFFAOYSA-N
XLogP0.75
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione (CID 10244911) is 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(COCCO)cc1Cc1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is NEBAZSCNNDDVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c15-12-3-1-2-10(7-12)6-11-8-17(9-21-5-4-18)14(20)16-13(11)19/h1-3,7-8,18H,4-6,9H2,(H,16,19,20).
What are the key properties of 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 310.74 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10244911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).