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

C14H24N2O2 — CID 3021982

IUPAC3-butyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]c(C)c(CCC(C)C)c1=O
InChIInChI=1S/C14H24N2O2/c1-5-6-9-16-13(17)12(8-7-10(2)3)11(4)15-14(16)18/h10H,5-9H2,1-4H3,(H,15,18)
InChIKeyXABMNAKHEWDXLH-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.23
Rot. Bonds6

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

3-butyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidine-2,4-dione (PubChem CID 3021982) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-butyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidine-2,4-dione
PubChem CID3021982
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-butyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]c(C)c(CCC(C)C)c1=O
InChIInChI=1S/C14H24N2O2/c1-5-6-9-16-13(17)12(8-7-10(2)3)11(4)15-14(16)18/h10H,5-9H2,1-4H3,(H,15,18)
InChIKeyXABMNAKHEWDXLH-UHFFFAOYSA-N
XLogP2.23
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.23
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-(3-methylbutyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidine-2,4-dione (CID 3021982) is 3-butyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidine-2,4-dione is CCCCn1c(=O)[nH]c(C)c(CCC(C)C)c1=O.
What is the InChIKey of 3-butyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidine-2,4-dione?
The InChIKey is XABMNAKHEWDXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-6-9-16-13(17)12(8-7-10(2)3)11(4)15-14(16)18/h10H,5-9H2,1-4H3,(H,15,18).
What are the key properties of 3-butyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidine-2,4-dione?
3-butyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidine-2,4-dione has a molecular weight of 252.36 g/mol, XLogP of 2.23, 6 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-(3-methylbutyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3021982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).