5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione

C9H14N2O2 — CID 58911972

IUPAC5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-9(2,3)4-6-5-10-8(13)11-7(6)12/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyRFDKXJLGEFTVTH-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.65
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione

5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione (PubChem CID 58911972) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione
PubChem CID58911972
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-9(2,3)4-6-5-10-8(13)11-7(6)12/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyRFDKXJLGEFTVTH-UHFFFAOYSA-N
XLogP0.65
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-2,4(1H,3H)-pyrimidinedione
CID 73267
5-Isopropyluracil
CID 98575
2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-
CID 592713
5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654884
5-Propyluracil
CID 73269
2,4(1H,3H)-Pyrimidinedione, 5-butyl-
CID 94985
5-Cyclopropyluracil
CID 6991953
5-Thyminyl-5,6-dihydrothymine
CID 161592
pyrimidine-2,4(1H,3H)-dione, 5-tert-butyl-1-methyl-
CID 68250687
Uracil, 5-hexyl-
CID 147281
5-sec-Butyluracil
CID 587021
pyrimidine-2,4(1H,3H)-dione, 5-tert-butyl-3-methyl-
CID 130005195

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione (CID 58911972) is 5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione is CC(C)(C)Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is RFDKXJLGEFTVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,3)4-6-5-10-8(13)11-7(6)12/h5H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione?
5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 58911972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).