5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid

C9H10ClN3O2 — CID 83869042

IUPAC5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid
SMILESCNc1nc(C2CC2)nc(C(=O)O)c1Cl
InChIInChI=1S/C9H10ClN3O2/c1-11-8-5(10)6(9(14)15)12-7(13-8)4-2-3-4/h4H,2-3H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyTZRDZDZSVZHSCN-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.75
Rot. Bonds3

About 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid

5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid (PubChem CID 83869042) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid
PubChem CID83869042
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid
SMILESCNc1nc(C2CC2)nc(C(=O)O)c1Cl
InChIInChI=1S/C9H10ClN3O2/c1-11-8-5(10)6(9(14)15)12-7(13-8)4-2-3-4/h4H,2-3H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyTZRDZDZSVZHSCN-UHFFFAOYSA-N
XLogP1.75
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid (CID 83869042) is 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid is CNc1nc(C2CC2)nc(C(=O)O)c1Cl.
What is the InChIKey of 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid?
The InChIKey is TZRDZDZSVZHSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-11-8-5(10)6(9(14)15)12-7(13-8)4-2-3-4/h4H,2-3H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid?
5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid has a molecular weight of 227.65 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83869042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).