2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride

C8H11ClN2O2 — CID 155819947

IUPAC2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride
SMILESCc1nc(C)c(C(=O)O)c(C)n1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-4-7(8(11)12)5(2)10-6(3)9-4;/h1-3H3,(H,11,12);1H
InChIKeyYJWYFCYOCKEMPK-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.52
Rot. Bonds1

About 2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride

2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride (PubChem CID 155819947) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride
PubChem CID155819947
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride
SMILESCc1nc(C)c(C(=O)O)c(C)n1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-4-7(8(11)12)5(2)10-6(3)9-4;/h1-3H3,(H,11,12);1H
InChIKeyYJWYFCYOCKEMPK-UHFFFAOYSA-N
XLogP1.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride?
The IUPAC name of 2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride (CID 155819947) is 2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride is Cc1nc(C)c(C(=O)O)c(C)n1.Cl.
What is the InChIKey of 2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride?
The InChIKey is YJWYFCYOCKEMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c1-4-7(8(11)12)5(2)10-6(3)9-4;/h1-3H3,(H,11,12);1H.
What are the key properties of 2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride?
2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylpyrimidine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 155819947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).