2H-pyrimidine-1-carboxylic acid;hydrochloride

C5H7ClN2O2 — CID 139533604

IUPAC2H-pyrimidine-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)N1C=CC=NC1
InChIInChI=1S/C5H6N2O2.ClH/c8-5(9)7-3-1-2-6-4-7;/h1-3H,4H2,(H,8,9);1H
InChIKeySVQKXZYJADNQFF-UHFFFAOYSA-N
MW162.58 g/mol
LogP0.94
Rot. Bonds

About 2H-pyrimidine-1-carboxylic acid;hydrochloride

2H-pyrimidine-1-carboxylic acid;hydrochloride (PubChem CID 139533604) has the molecular formula C5H7ClN2O2 and a molecular weight of 162.58 g/mol. Its IUPAC name is 2H-pyrimidine-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2H-pyrimidine-1-carboxylic acid;hydrochloride
PubChem CID139533604
Molecular FormulaC5H7ClN2O2
Molecular Weight162.58 g/mol
Exact Mass162.02
IUPAC Name2H-pyrimidine-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)N1C=CC=NC1
InChIInChI=1S/C5H6N2O2.ClH/c8-5(9)7-3-1-2-6-4-7;/h1-3H,4H2,(H,8,9);1H
InChIKeySVQKXZYJADNQFF-UHFFFAOYSA-N
XLogP0.94
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrimidine-1-carboxylic acid;hydrochloride?
The IUPAC name of 2H-pyrimidine-1-carboxylic acid;hydrochloride (CID 139533604) is 2H-pyrimidine-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 2H-pyrimidine-1-carboxylic acid;hydrochloride?
The canonical SMILES for 2H-pyrimidine-1-carboxylic acid;hydrochloride is Cl.O=C(O)N1C=CC=NC1.
What is the InChIKey of 2H-pyrimidine-1-carboxylic acid;hydrochloride?
The InChIKey is SVQKXZYJADNQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.ClH/c8-5(9)7-3-1-2-6-4-7;/h1-3H,4H2,(H,8,9);1H.
What are the key properties of 2H-pyrimidine-1-carboxylic acid;hydrochloride?
2H-pyrimidine-1-carboxylic acid;hydrochloride has a molecular weight of 162.58 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrimidine-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 139533604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).