3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione

C9H14N2O3 — CID 57003580

IUPAC3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione
SMILESCCC(C)n1c(=O)cc(O)n(C)c1=O
InChIInChI=1S/C9H14N2O3/c1-4-6(2)11-8(13)5-7(12)10(3)9(11)14/h5-6,12H,4H2,1-3H3
InChIKeyQCQYOWXNVVTXGU-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.22
Rot. Bonds2

About 3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione

3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione (PubChem CID 57003580) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione
PubChem CID57003580
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione
SMILESCCC(C)n1c(=O)cc(O)n(C)c1=O
InChIInChI=1S/C9H14N2O3/c1-4-6(2)11-8(13)5-7(12)10(3)9(11)14/h5-6,12H,4H2,1-3H3
InChIKeyQCQYOWXNVVTXGU-UHFFFAOYSA-N
XLogP0.22
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione (CID 57003580) is 3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione is CCC(C)n1c(=O)cc(O)n(C)c1=O.
What is the InChIKey of 3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione?
The InChIKey is QCQYOWXNVVTXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-6(2)11-8(13)5-7(12)10(3)9(11)14/h5-6,12H,4H2,1-3H3.
What are the key properties of 3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione?
3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-hydroxy-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 57003580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).