pyrimidine-5-carboxamide;tetrahydrochloride

C5H9Cl4N3O — CID 141352589

IUPACpyrimidine-5-carboxamide;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NC(=O)c1cncnc1
InChIInChI=1S/C5H5N3O.4ClH/c6-5(9)4-1-7-3-8-2-4;;;;/h1-3H,(H2,6,9);4*1H
InChIKeyFUDLZDNYQVCOGM-UHFFFAOYSA-N
MW268.96 g/mol
LogP1.26
Rot. Bonds1

About pyrimidine-5-carboxamide;tetrahydrochloride

pyrimidine-5-carboxamide;tetrahydrochloride (PubChem CID 141352589) has the molecular formula C5H9Cl4N3O and a molecular weight of 268.96 g/mol. Its IUPAC name is pyrimidine-5-carboxamide;tetrahydrochloride.

Molecular Properties

Compound Namepyrimidine-5-carboxamide;tetrahydrochloride
PubChem CID141352589
Molecular FormulaC5H9Cl4N3O
Molecular Weight268.96 g/mol
Exact Mass266.95
IUPAC Namepyrimidine-5-carboxamide;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NC(=O)c1cncnc1
InChIInChI=1S/C5H5N3O.4ClH/c6-5(9)4-1-7-3-8-2-4;;;;/h1-3H,(H2,6,9);4*1H
InChIKeyFUDLZDNYQVCOGM-UHFFFAOYSA-N
XLogP1.26
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.96
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrimidine-5-carboxamide;tetrahydrochloride?
The IUPAC name of pyrimidine-5-carboxamide;tetrahydrochloride (CID 141352589) is pyrimidine-5-carboxamide;tetrahydrochloride.
What is the SMILES notation for pyrimidine-5-carboxamide;tetrahydrochloride?
The canonical SMILES for pyrimidine-5-carboxamide;tetrahydrochloride is Cl.Cl.Cl.Cl.NC(=O)c1cncnc1.
What is the InChIKey of pyrimidine-5-carboxamide;tetrahydrochloride?
The InChIKey is FUDLZDNYQVCOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O.4ClH/c6-5(9)4-1-7-3-8-2-4;;;;/h1-3H,(H2,6,9);4*1H.
What are the key properties of pyrimidine-5-carboxamide;tetrahydrochloride?
pyrimidine-5-carboxamide;tetrahydrochloride has a molecular weight of 268.96 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-5-carboxamide;tetrahydrochloride is sourced from PubChem (CID 141352589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).