1-butyl-6-methylpyrimidine-2,4-dione

C9H14N2O2 — CID 12703038

IUPAC1-butyl-6-methylpyrimidine-2,4-dione
SMILESCCCCn1c(C)cc(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-3-4-5-11-7(2)6-8(12)10-9(11)13/h6H,3-5H2,1-2H3,(H,10,12,13)
InChIKeyCRNGLUFAMPVZSO-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.65
Rot. Bonds3

About 1-butyl-6-methylpyrimidine-2,4-dione

1-butyl-6-methylpyrimidine-2,4-dione (PubChem CID 12703038) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-butyl-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-6-methylpyrimidine-2,4-dione
PubChem CID12703038
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-butyl-6-methylpyrimidine-2,4-dione
SMILESCCCCn1c(C)cc(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-3-4-5-11-7(2)6-8(12)10-9(11)13/h6H,3-5H2,1-2H3,(H,10,12,13)
InChIKeyCRNGLUFAMPVZSO-UHFFFAOYSA-N
XLogP0.65
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1-butyl-6-methylpyrimidine-2,4-dione (CID 12703038) is 1-butyl-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-6-methylpyrimidine-2,4-dione is CCCCn1c(C)cc(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-6-methylpyrimidine-2,4-dione?
The InChIKey is CRNGLUFAMPVZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-5-11-7(2)6-8(12)10-9(11)13/h6H,3-5H2,1-2H3,(H,10,12,13).
What are the key properties of 1-butyl-6-methylpyrimidine-2,4-dione?
1-butyl-6-methylpyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 12703038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).