3-ethyl-5-methyl-1H-pyrimidine-2,4-dione

C7H10N2O2 — CID 19032318

IUPAC3-ethyl-5-methyl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]cc(C)c1=O
InChIInChI=1S/C7H10N2O2/c1-3-9-6(10)5(2)4-8-7(9)11/h4H,3H2,1-2H3,(H,8,11)
InChIKeyQZPDSXJISABFAP-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.14
Rot. Bonds1

About 3-ethyl-5-methyl-1H-pyrimidine-2,4-dione

3-ethyl-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 19032318) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID19032318
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-ethyl-5-methyl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]cc(C)c1=O
InChIInChI=1S/C7H10N2O2/c1-3-9-6(10)5(2)4-8-7(9)11/h4H,3H2,1-2H3,(H,8,11)
InChIKeyQZPDSXJISABFAP-UHFFFAOYSA-N
XLogP-0.14
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thymine
CID 1135
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
5-Ethyl-2,4(1H,3H)-pyrimidinedione
CID 73267
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
N,N-Dimethylthymine
CID 78112
5-Isopropyluracil
CID 98575
1-(2-Hydroxyethyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 566009
1,1'-Trimethylenebis(thymine)
CID 89902
N(1),N(3)-Diallylthymine
CID 748590
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 235106
N-hexyl-5-methyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71716387
2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(2-propynyl)-
CID 489882

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-5-methyl-1H-pyrimidine-2,4-dione (CID 19032318) is 3-ethyl-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-methyl-1H-pyrimidine-2,4-dione is CCn1c(=O)[nH]cc(C)c1=O.
What is the InChIKey of 3-ethyl-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is QZPDSXJISABFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-9-6(10)5(2)4-8-7(9)11/h4H,3H2,1-2H3,(H,8,11).
What are the key properties of 3-ethyl-5-methyl-1H-pyrimidine-2,4-dione?
3-ethyl-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 154.17 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 19032318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).