5-propan-2-yl-5H-pyrimidine-2,4-dione

C7H10N2O2 — CID 58462474

IUPAC5-propan-2-yl-5H-pyrimidine-2,4-dione
SMILESCC(C)C1C=NC(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-4(2)5-3-8-7(11)9-6(5)10/h3-5H,1-2H3,(H,9,10,11)
InChIKeyUDMYHTZBAAIFBS-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.58
Rot. Bonds1

About 5-propan-2-yl-5H-pyrimidine-2,4-dione

5-propan-2-yl-5H-pyrimidine-2,4-dione (PubChem CID 58462474) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-propan-2-yl-5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-propan-2-yl-5H-pyrimidine-2,4-dione
PubChem CID58462474
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-propan-2-yl-5H-pyrimidine-2,4-dione
SMILESCC(C)C1C=NC(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-4(2)5-3-8-7(11)9-6(5)10/h3-5H,1-2H3,(H,9,10,11)
InChIKeyUDMYHTZBAAIFBS-UHFFFAOYSA-N
XLogP0.58
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-5H-pyrimidine-2,4-dione
CID 15218620
(5S)-5-methyl-5H-pyrimidine-2,4-dione
CID 98455950
N-carbamoyl-3-imino-2-methylpropanamide
CID 91173470
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione
CID 163323910
5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione
CID 58462473
1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione
CID 58937896
6,6-dimethyl-5H-1,3-diazepine-2,7-dione
CID 123341520
5-propan-2-yl-2-sulfanylidene-5H-pyrimidin-4-one
CID 129910522
2-imino-5-propan-2-yl-5H-pyrimidin-4-one
CID 140811076
ethane;5-methyl-5H-pyrimidine-2,4-dione
CID 145043205
5,6-dimethyl-5H-pyrimidine-2,4-dione
CID 146679254
2-methyl-N-(methylidenecarbamoyl)butanamide
CID 166858524

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-5H-pyrimidine-2,4-dione?
The IUPAC name of 5-propan-2-yl-5H-pyrimidine-2,4-dione (CID 58462474) is 5-propan-2-yl-5H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-propan-2-yl-5H-pyrimidine-2,4-dione?
The canonical SMILES for 5-propan-2-yl-5H-pyrimidine-2,4-dione is CC(C)C1C=NC(=O)NC1=O.
What is the InChIKey of 5-propan-2-yl-5H-pyrimidine-2,4-dione?
The InChIKey is UDMYHTZBAAIFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4(2)5-3-8-7(11)9-6(5)10/h3-5H,1-2H3,(H,9,10,11).
What are the key properties of 5-propan-2-yl-5H-pyrimidine-2,4-dione?
5-propan-2-yl-5H-pyrimidine-2,4-dione has a molecular weight of 154.17 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-5H-pyrimidine-2,4-dione is sourced from PubChem (CID 58462474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).