ethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione

C9H16N2O2 — CID 144823503

IUPACethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione
SMILESCC.CCc1[nH]c(=O)[nH]c(=O)c1C
InChIInChI=1S/C7H10N2O2.C2H6/c1-3-5-4(2)6(10)9-7(11)8-5;1-2/h3H2,1-2H3,(H2,8,9,10,11);1-2H3
InChIKeyRJIFPXAPMWLCDE-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.96
Rot. Bonds1

About ethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione

ethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 144823503) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is ethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Nameethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID144823503
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione
SMILESCC.CCc1[nH]c(=O)[nH]c(=O)c1C
InChIInChI=1S/C7H10N2O2.C2H6/c1-3-5-4(2)6(10)9-7(11)8-5;1-2/h3H2,1-2H3,(H2,8,9,10,11);1-2H3
InChIKeyRJIFPXAPMWLCDE-UHFFFAOYSA-N
XLogP0.96
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of ethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione (CID 144823503) is ethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for ethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for ethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione is CC.CCc1[nH]c(=O)[nH]c(=O)c1C.
What is the InChIKey of ethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is RJIFPXAPMWLCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.C2H6/c1-3-5-4(2)6(10)9-7(11)8-5;1-2/h3H2,1-2H3,(H2,8,9,10,11);1-2H3.
What are the key properties of ethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione?
ethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 184.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 144823503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).