4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one

C11H12N4O4 — CID 805568

IUPAC4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(Cc2c(O)nc(C)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C11H12N4O4/c1-4-12-8(16)6(9(17)13-4)3-7-10(18)14-5(2)15-11(7)19/h3H2,1-2H3,(H2,12,13,16,17)(H2,14,15,18,19)
InChIKeyOMEQWVUFFIVMCT-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.53
Rot. Bonds2

About 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one

4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 805568) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID805568
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(Cc2c(O)nc(C)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C11H12N4O4/c1-4-12-8(16)6(9(17)13-4)3-7-10(18)14-5(2)15-11(7)19/h3H2,1-2H3,(H2,12,13,16,17)(H2,14,15,18,19)
InChIKeyOMEQWVUFFIVMCT-UHFFFAOYSA-N
XLogP-0.53
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one (CID 805568) is 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(Cc2c(O)nc(C)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is OMEQWVUFFIVMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-4-12-8(16)6(9(17)13-4)3-7-10(18)14-5(2)15-11(7)19/h3H2,1-2H3,(H2,12,13,16,17)(H2,14,15,18,19).
What are the key properties of 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one?
4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 264.24 g/mol, XLogP of -0.53, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 805568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).