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

C8H10N2O4 — CID 176541353

IUPACcarbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione
SMILESCCc1[nH]c(=O)[nH]c(=O)c1C.O=C=O
InChIInChI=1S/C7H10N2O2.CO2/c1-3-5-4(2)6(10)9-7(11)8-5;2-1-3/h3H2,1-2H3,(H2,8,9,10,11);
InChIKeyHFWSOHGIFVLADC-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.65
Rot. Bonds1

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

carbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 176541353) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is carbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Namecarbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID176541353
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namecarbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione
SMILESCCc1[nH]c(=O)[nH]c(=O)c1C.O=C=O
InChIInChI=1S/C7H10N2O2.CO2/c1-3-5-4(2)6(10)9-7(11)8-5;2-1-3/h3H2,1-2H3,(H2,8,9,10,11);
InChIKeyHFWSOHGIFVLADC-UHFFFAOYSA-N
XLogP-0.65
TPSA99.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dimethyluracil
CID 96031
Uracil, 5-ethyl-6-methyl-
CID 202538
6-Tert-butylpyrimidine-2,4-diol
CID 817312
Uracil, 3,6-dimethyl-5-ethyl-
CID 3021669
Uracil, 6-methyl-5-propyl-
CID 3025420
6-Ethyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 14842377
6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 12512057
Butylmethyl pyrimidinedione
CID 15721967
6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 129278642
6-Ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 13352862
5-Propargyl-6-methyluracil
CID 154722238
3,5-dimethyl-6-propyl-1H-pyrimidine-2,4-dione
CID 22075435

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of carbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione (CID 176541353) is carbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for carbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for carbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione is CCc1[nH]c(=O)[nH]c(=O)c1C.O=C=O.
What is the InChIKey of carbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is HFWSOHGIFVLADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.CO2/c1-3-5-4(2)6(10)9-7(11)8-5;2-1-3/h3H2,1-2H3,(H2,8,9,10,11);.
What are the key properties of carbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione?
carbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 198.18 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 176541353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).