1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid

C11H16N2O4 — CID 165477714

IUPAC1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid
SMILESCCCc1ncn(CCOC)c(=O)c1C(=O)O
InChIInChI=1S/C11H16N2O4/c1-3-4-8-9(11(15)16)10(14)13(7-12-8)5-6-17-2/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyNWHZATAUACQCIP-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.54
Rot. Bonds6

About 1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid

1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid (PubChem CID 165477714) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid
PubChem CID165477714
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid
SMILESCCCc1ncn(CCOC)c(=O)c1C(=O)O
InChIInChI=1S/C11H16N2O4/c1-3-4-8-9(11(15)16)10(14)13(7-12-8)5-6-17-2/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyNWHZATAUACQCIP-UHFFFAOYSA-N
XLogP0.54
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one
CID 114583146
4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid
CID 154074662
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,6-dimethylbenzoic acid
CID 103431008
3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 39103403
3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950060
1-(2-methoxyethyl)-4,5-dimethylimidazole
CID 54406098
ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 91950055
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
[5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol
CID 20735887
6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid
CID 165478239
1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone
CID 166601299
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea
CID 162429400

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid (CID 165477714) is 1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid is CCCc1ncn(CCOC)c(=O)c1C(=O)O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid?
The InChIKey is NWHZATAUACQCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-4-8-9(11(15)16)10(14)13(7-12-8)5-6-17-2/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid?
1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 165477714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).