2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid

C7H12N2O2 — CID 15020005

IUPAC2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
SMILESCCC1=NCCC(C(=O)O)N1
InChIInChI=1S/C7H12N2O2/c1-2-6-8-4-3-5(9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyUQMCNTQAZYBDRP-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.24
Rot. Bonds2

About 2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid

2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid (PubChem CID 15020005) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
PubChem CID15020005
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
SMILESCCC1=NCCC(C(=O)O)N1
InChIInChI=1S/C7H12N2O2/c1-2-6-8-4-3-5(9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyUQMCNTQAZYBDRP-UHFFFAOYSA-N
XLogP0.24
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The IUPAC name of 2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid (CID 15020005) is 2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The canonical SMILES for 2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid is CCC1=NCCC(C(=O)O)N1.
What is the InChIKey of 2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The InChIKey is UQMCNTQAZYBDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-6-8-4-3-5(9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid is sourced from PubChem (CID 15020005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).