2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid

C9H9ClN2O2 — CID 175483468

IUPAC2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid
SMILESCc1c(C(=O)O)nc(Cl)nc1C1CC1
InChIInChI=1S/C9H9ClN2O2/c1-4-6(5-2-3-5)11-9(10)12-7(4)8(13)14/h5H,2-3H2,1H3,(H,13,14)
InChIKeyBPOPYUFNTOVZAH-UHFFFAOYSA-N
MW212.64 g/mol
LogP2.01
Rot. Bonds2

About 2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid

2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid (PubChem CID 175483468) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid
PubChem CID175483468
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid
SMILESCc1c(C(=O)O)nc(Cl)nc1C1CC1
InChIInChI=1S/C9H9ClN2O2/c1-4-6(5-2-3-5)11-9(10)12-7(4)8(13)14/h5H,2-3H2,1H3,(H,13,14)
InChIKeyBPOPYUFNTOVZAH-UHFFFAOYSA-N
XLogP2.01
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid (CID 175483468) is 2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid is Cc1c(C(=O)O)nc(Cl)nc1C1CC1.
What is the InChIKey of 2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid?
The InChIKey is BPOPYUFNTOVZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-4-6(5-2-3-5)11-9(10)12-7(4)8(13)14/h5H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid?
2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid has a molecular weight of 212.64 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopropyl-5-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 175483468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).