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

C6H6ClN3O2 — CID 83868984

IUPAC6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid
SMILESCc1nc(N)c(Cl)c(C(=O)O)n1
InChIInChI=1S/C6H6ClN3O2/c1-2-9-4(6(11)12)3(7)5(8)10-2/h1H3,(H,11,12)(H2,8,9,10)
InChIKeyAKISKROARNXQMD-UHFFFAOYSA-N
MW187.59 g/mol
LogP0.72
Rot. Bonds1

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

6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid (PubChem CID 83868984) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is 6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid
PubChem CID83868984
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC Name6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid
SMILESCc1nc(N)c(Cl)c(C(=O)O)n1
InChIInChI=1S/C6H6ClN3O2/c1-2-9-4(6(11)12)3(7)5(8)10-2/h1H3,(H,11,12)(H2,8,9,10)
InChIKeyAKISKROARNXQMD-UHFFFAOYSA-N
XLogP0.72
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid (CID 83868984) is 6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid is Cc1nc(N)c(Cl)c(C(=O)O)n1.
What is the InChIKey of 6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid?
The InChIKey is AKISKROARNXQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c1-2-9-4(6(11)12)3(7)5(8)10-2/h1H3,(H,11,12)(H2,8,9,10).
What are the key properties of 6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid?
6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid has a molecular weight of 187.59 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83868984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).