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

C8H9ClN2O2 — CID 39240399

IUPAC2-chloro-6-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)nc(Cl)n1
InChIInChI=1S/C8H9ClN2O2/c1-4(2)5-3-6(7(12)13)11-8(9)10-5/h3-4H,1-2H3,(H,12,13)
InChIKeyOSIWTOMGBYRJLJ-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.95
Rot. Bonds2

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

2-chloro-6-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 39240399) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-chloro-6-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID39240399
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name2-chloro-6-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)nc(Cl)n1
InChIInChI=1S/C8H9ClN2O2/c1-4(2)5-3-6(7(12)13)11-8(9)10-5/h3-4H,1-2H3,(H,12,13)
InChIKeyOSIWTOMGBYRJLJ-UHFFFAOYSA-N
XLogP1.95
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-propan-2-ylpyrimidine-4-carboxylic acid (CID 39240399) is 2-chloro-6-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1cc(C(=O)O)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is OSIWTOMGBYRJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-4(2)5-3-6(7(12)13)11-8(9)10-5/h3-4H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-6-propan-2-ylpyrimidine-4-carboxylic acid?
2-chloro-6-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 200.62 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 39240399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).