2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid

C11H14N2O2 — CID 121206900

IUPAC2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)nc(C2CC2)n1
InChIInChI=1S/C11H14N2O2/c1-2-3-8-6-9(11(14)15)13-10(12-8)7-4-5-7/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyYHTDRJBWFFWACR-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.00
Rot. Bonds4

About 2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid

2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid (PubChem CID 121206900) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid
PubChem CID121206900
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)nc(C2CC2)n1
InChIInChI=1S/C11H14N2O2/c1-2-3-8-6-9(11(14)15)13-10(12-8)7-4-5-7/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyYHTDRJBWFFWACR-UHFFFAOYSA-N
XLogP2.00
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid (CID 121206900) is 2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid is CCCc1cc(C(=O)O)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid?
The InChIKey is YHTDRJBWFFWACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-3-8-6-9(11(14)15)13-10(12-8)7-4-5-7/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid?
2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 121206900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).