1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione

C6H8N2O3 — CID 18704140

IUPAC1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CO)c(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O3/c1-4-2-8(3-9)6(11)7-5(4)10/h2,9H,3H2,1H3,(H,7,10,11)
InChIKeyYTGITGWHVZTTMZ-UHFFFAOYSA-N
MW156.14 g/mol
LogP-1.21
Rot. Bonds1

About 1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione

1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione (PubChem CID 18704140) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione
PubChem CID18704140
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CO)c(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O3/c1-4-2-8(3-9)6(11)7-5(4)10/h2,9H,3H2,1H3,(H,7,10,11)
InChIKeyYTGITGWHVZTTMZ-UHFFFAOYSA-N
XLogP-1.21
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione (CID 18704140) is 1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione is Cc1cn(CO)c(=O)[nH]c1=O.
What is the InChIKey of 1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is YTGITGWHVZTTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-4-2-8(3-9)6(11)7-5(4)10/h2,9H,3H2,1H3,(H,7,10,11).
What are the key properties of 1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione?
1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 156.14 g/mol, XLogP of -1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 18704140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).