6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione

C14H16N2O4 — CID 653312

IUPAC6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)Oc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H16N2O4/c1-8(2)20-10-5-3-9(4-6-10)7-11-12(17)15-14(19)16-13(11)18/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyMYGLUXVWMFOENG-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.15
Rot. Bonds4

About 6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 653312) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID653312
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)Oc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H16N2O4/c1-8(2)20-10-5-3-9(4-6-10)7-11-12(17)15-14(19)16-13(11)18/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyMYGLUXVWMFOENG-UHFFFAOYSA-N
XLogP1.15
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione (CID 653312) is 6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione is CC(C)Oc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MYGLUXVWMFOENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(2)20-10-5-3-9(4-6-10)7-11-12(17)15-14(19)16-13(11)18/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 276.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 653312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).