3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione

C13H22N2O2 — CID 3021919

IUPAC3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]c(C)c(CC(C)C)c1=O
InChIInChI=1S/C13H22N2O2/c1-5-6-7-15-12(16)11(8-9(2)3)10(4)14-13(15)17/h9H,5-8H2,1-4H3,(H,14,17)
InChIKeyMDTBOWUPXIRDGP-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.84
Rot. Bonds5

About 3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione

3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione (PubChem CID 3021919) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione
PubChem CID3021919
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]c(C)c(CC(C)C)c1=O
InChIInChI=1S/C13H22N2O2/c1-5-6-7-15-12(16)11(8-9(2)3)10(4)14-13(15)17/h9H,5-8H2,1-4H3,(H,14,17)
InChIKeyMDTBOWUPXIRDGP-UHFFFAOYSA-N
XLogP1.84
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione (CID 3021919) is 3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione is CCCCn1c(=O)[nH]c(C)c(CC(C)C)c1=O.
What is the InChIKey of 3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is MDTBOWUPXIRDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-6-7-15-12(16)11(8-9(2)3)10(4)14-13(15)17/h9H,5-8H2,1-4H3,(H,14,17).
What are the key properties of 3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 238.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3021919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).