5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione

C8H12N2O3 — CID 4153777

IUPAC5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(CO)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H12N2O3/c1-5-6(4-11)7(12)10(3)8(13)9(5)2/h11H,4H2,1-3H3
InChIKeySJKFLALTVRSHBQ-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.12
Rot. Bonds1

About 5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione

5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione (PubChem CID 4153777) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione
PubChem CID4153777
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(CO)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H12N2O3/c1-5-6(4-11)7(12)10(3)8(13)9(5)2/h11H,4H2,1-3H3
InChIKeySJKFLALTVRSHBQ-UHFFFAOYSA-N
XLogP-1.12
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione (CID 4153777) is 5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione is Cc1c(CO)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione?
The InChIKey is SJKFLALTVRSHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-6(4-11)7(12)10(3)8(13)9(5)2/h11H,4H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione?
5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 4153777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).