3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione

C10H16N2O2 — CID 15571331

IUPAC3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCCC(C)n1c(=O)[nH]c(C)c(C)c1=O
InChIInChI=1S/C10H16N2O2/c1-5-6(2)12-9(13)7(3)8(4)11-10(12)14/h6H,5H2,1-4H3,(H,11,14)
InChIKeyKLYPKSTZJQEADG-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.12
Rot. Bonds2

About 3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione

3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione (PubChem CID 15571331) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione
PubChem CID15571331
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCCC(C)n1c(=O)[nH]c(C)c(C)c1=O
InChIInChI=1S/C10H16N2O2/c1-5-6(2)12-9(13)7(3)8(4)11-10(12)14/h6H,5H2,1-4H3,(H,11,14)
InChIKeyKLYPKSTZJQEADG-UHFFFAOYSA-N
XLogP1.12
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione (CID 15571331) is 3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione is CCC(C)n1c(=O)[nH]c(C)c(C)c1=O.
What is the InChIKey of 3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione?
The InChIKey is KLYPKSTZJQEADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-6(2)12-9(13)7(3)8(4)11-10(12)14/h6H,5H2,1-4H3,(H,11,14).
What are the key properties of 3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione?
3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15571331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).