1,4-dihydropyrimidine-5-carboxamide;hydrochloride

C5H8ClN3O — CID 90101643

IUPAC1,4-dihydropyrimidine-5-carboxamide;hydrochloride
SMILESCl.NC(=O)C1=CNC=NC1
InChIInChI=1S/C5H7N3O.ClH/c6-5(9)4-1-7-3-8-2-4;/h1,3H,2H2,(H2,6,9)(H,7,8);1H
InChIKeyWHKIJNUWMCABEV-UHFFFAOYSA-N
MW161.59 g/mol
LogP-0.59
Rot. Bonds1

About 1,4-dihydropyrimidine-5-carboxamide;hydrochloride

1,4-dihydropyrimidine-5-carboxamide;hydrochloride (PubChem CID 90101643) has the molecular formula C5H8ClN3O and a molecular weight of 161.59 g/mol. Its IUPAC name is 1,4-dihydropyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1,4-dihydropyrimidine-5-carboxamide;hydrochloride
PubChem CID90101643
Molecular FormulaC5H8ClN3O
Molecular Weight161.59 g/mol
Exact Mass161.04
IUPAC Name1,4-dihydropyrimidine-5-carboxamide;hydrochloride
SMILESCl.NC(=O)C1=CNC=NC1
InChIInChI=1S/C5H7N3O.ClH/c6-5(9)4-1-7-3-8-2-4;/h1,3H,2H2,(H2,6,9)(H,7,8);1H
InChIKeyWHKIJNUWMCABEV-UHFFFAOYSA-N
XLogP-0.59
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 1,4-dihydropyrimidine-5-carboxamide;hydrochloride (CID 90101643) is 1,4-dihydropyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 1,4-dihydropyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 1,4-dihydropyrimidine-5-carboxamide;hydrochloride is Cl.NC(=O)C1=CNC=NC1.
What is the InChIKey of 1,4-dihydropyrimidine-5-carboxamide;hydrochloride?
The InChIKey is WHKIJNUWMCABEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.ClH/c6-5(9)4-1-7-3-8-2-4;/h1,3H,2H2,(H2,6,9)(H,7,8);1H.
What are the key properties of 1,4-dihydropyrimidine-5-carboxamide;hydrochloride?
1,4-dihydropyrimidine-5-carboxamide;hydrochloride has a molecular weight of 161.59 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 90101643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).