6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione

C8H12N2O3 — CID 54123428

IUPAC6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(O)n(C)c1=O
InChIInChI=1S/C8H12N2O3/c1-3-4-10-7(12)5-6(11)9(2)8(10)13/h5,11H,3-4H2,1-2H3
InChIKeyHOHPAXRMLNLCIL-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.34
Rot. Bonds2

About 6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione

6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione (PubChem CID 54123428) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione
PubChem CID54123428
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(O)n(C)c1=O
InChIInChI=1S/C8H12N2O3/c1-3-4-10-7(12)5-6(11)9(2)8(10)13/h5,11H,3-4H2,1-2H3
InChIKeyHOHPAXRMLNLCIL-UHFFFAOYSA-N
XLogP-0.34
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione (CID 54123428) is 6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione is CCCn1c(=O)cc(O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione?
The InChIKey is HOHPAXRMLNLCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-4-10-7(12)5-6(11)9(2)8(10)13/h5,11H,3-4H2,1-2H3.
What are the key properties of 6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione?
6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methyl-3-propylpyrimidine-2,4-dione is sourced from PubChem (CID 54123428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).