1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione

C14H16N2O4 — CID 10423568

IUPAC1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(COC(CO)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H16N2O4/c1-10-7-16(14(19)15-13(10)18)9-20-12(8-17)11-5-3-2-4-6-11/h2-7,12,17H,8-9H2,1H3,(H,15,18,19)
InChIKeyISQIHPIBRUCZDO-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.55
Rot. Bonds5

About 1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione

1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 10423568) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione
PubChem CID10423568
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(COC(CO)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H16N2O4/c1-10-7-16(14(19)15-13(10)18)9-20-12(8-17)11-5-3-2-4-6-11/h2-7,12,17H,8-9H2,1H3,(H,15,18,19)
InChIKeyISQIHPIBRUCZDO-UHFFFAOYSA-N
XLogP0.55
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione (CID 10423568) is 1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(COC(CO)c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is ISQIHPIBRUCZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-10-7-16(14(19)15-13(10)18)9-20-12(8-17)11-5-3-2-4-6-11/h2-7,12,17H,8-9H2,1H3,(H,15,18,19).
What are the key properties of 1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione?
1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 276.29 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 10423568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).