2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid

C13H13N3O2 — CID 106523212

IUPAC2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid
SMILESCCCc1ncc(-c2ccncc2)c(C(=O)O)n1
InChIInChI=1S/C13H13N3O2/c1-2-3-11-15-8-10(12(16-11)13(17)18)9-4-6-14-7-5-9/h4-8H,2-3H2,1H3,(H,17,18)
InChIKeyKWWWSTDSFSZWFU-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.19
Rot. Bonds4

About 2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid

2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid (PubChem CID 106523212) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid
PubChem CID106523212
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid
SMILESCCCc1ncc(-c2ccncc2)c(C(=O)O)n1
InChIInChI=1S/C13H13N3O2/c1-2-3-11-15-8-10(12(16-11)13(17)18)9-4-6-14-7-5-9/h4-8H,2-3H2,1H3,(H,17,18)
InChIKeyKWWWSTDSFSZWFU-UHFFFAOYSA-N
XLogP2.19
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid (CID 106523212) is 2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid is CCCc1ncc(-c2ccncc2)c(C(=O)O)n1.
What is the InChIKey of 2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid?
The InChIKey is KWWWSTDSFSZWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-3-11-15-8-10(12(16-11)13(17)18)9-4-6-14-7-5-9/h4-8H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid?
2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-pyridin-4-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 106523212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).