6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione

C10H14N2O4 — CID 56665365

IUPAC6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(C=C(CO)CO)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-6-8(3-7(4-13)5-14)12(2)10(16)11-9(6)15/h3,13-14H,4-5H2,1-2H3,(H,11,15,16)
InChIKeyBIORUVJYBNBNNA-UHFFFAOYSA-N
MW226.23 g/mol
LogP-1.25
Rot. Bonds3

About 6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione

6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 56665365) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione
PubChem CID56665365
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(C=C(CO)CO)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-6-8(3-7(4-13)5-14)12(2)10(16)11-9(6)15/h3,13-14H,4-5H2,1-2H3,(H,11,15,16)
InChIKeyBIORUVJYBNBNNA-UHFFFAOYSA-N
XLogP-1.25
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione (CID 56665365) is 6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione is Cc1c(C=C(CO)CO)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is BIORUVJYBNBNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6-8(3-7(4-13)5-14)12(2)10(16)11-9(6)15/h3,13-14H,4-5H2,1-2H3,(H,11,15,16).
What are the key properties of 6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione?
6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 226.23 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 56665365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).