3-butyl-6-propyl-1H-pyrimidine-2,4-dione

C11H18N2O2 — CID 22075422

IUPAC3-butyl-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCCn1c(=O)cc(CCC)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-3-5-7-13-10(14)8-9(6-4-2)12-11(13)15/h8H,3-7H2,1-2H3,(H,12,15)
InChIKeyDFXGVLNAWLYNHV-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.29
Rot. Bonds5

About 3-butyl-6-propyl-1H-pyrimidine-2,4-dione

3-butyl-6-propyl-1H-pyrimidine-2,4-dione (PubChem CID 22075422) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-butyl-6-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-6-propyl-1H-pyrimidine-2,4-dione
PubChem CID22075422
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-butyl-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCCn1c(=O)cc(CCC)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-3-5-7-13-10(14)8-9(6-4-2)12-11(13)15/h8H,3-7H2,1-2H3,(H,12,15)
InChIKeyDFXGVLNAWLYNHV-UHFFFAOYSA-N
XLogP1.29
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-6-propyl-1H-pyrimidine-2,4-dione (CID 22075422) is 3-butyl-6-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-6-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-6-propyl-1H-pyrimidine-2,4-dione is CCCCn1c(=O)cc(CCC)[nH]c1=O.
What is the InChIKey of 3-butyl-6-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is DFXGVLNAWLYNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-7-13-10(14)8-9(6-4-2)12-11(13)15/h8H,3-7H2,1-2H3,(H,12,15).
What are the key properties of 3-butyl-6-propyl-1H-pyrimidine-2,4-dione?
3-butyl-6-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 22075422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).