6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid

C10H13ClN2O2 — CID 84692252

IUPAC6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCc1c(Cl)nc(C(C)C)nc1C(=O)O
InChIInChI=1S/C10H13ClN2O2/c1-4-6-7(10(14)15)12-9(5(2)3)13-8(6)11/h5H,4H2,1-3H3,(H,14,15)
InChIKeyGPAUZUORWOICGE-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.51
Rot. Bonds3

About 6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid

6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 84692252) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID84692252
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCc1c(Cl)nc(C(C)C)nc1C(=O)O
InChIInChI=1S/C10H13ClN2O2/c1-4-6-7(10(14)15)12-9(5(2)3)13-8(6)11/h5H,4H2,1-3H3,(H,14,15)
InChIKeyGPAUZUORWOICGE-UHFFFAOYSA-N
XLogP2.51
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 84692252) is 6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid is CCc1c(Cl)nc(C(C)C)nc1C(=O)O.
What is the InChIKey of 6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is GPAUZUORWOICGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-4-6-7(10(14)15)12-9(5(2)3)13-8(6)11/h5H,4H2,1-3H3,(H,14,15).
What are the key properties of 6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid?
6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 228.68 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 84692252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).