1,2-dihydropyrimidine-2-carboxamide;hydrochloride

C5H8ClN3O — CID 172694013

IUPAC1,2-dihydropyrimidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)C1N=CC=CN1
InChIInChI=1S/C5H7N3O.ClH/c6-4(9)5-7-2-1-3-8-5;/h1-3,5,7H,(H2,6,9);1H
InChIKeyCBNZHIQBHXKVDP-UHFFFAOYSA-N
MW161.59 g/mol
LogP-0.59
Rot. Bonds1

About 1,2-dihydropyrimidine-2-carboxamide;hydrochloride

1,2-dihydropyrimidine-2-carboxamide;hydrochloride (PubChem CID 172694013) has the molecular formula C5H8ClN3O and a molecular weight of 161.59 g/mol. Its IUPAC name is 1,2-dihydropyrimidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1,2-dihydropyrimidine-2-carboxamide;hydrochloride
PubChem CID172694013
Molecular FormulaC5H8ClN3O
Molecular Weight161.59 g/mol
Exact Mass161.04
IUPAC Name1,2-dihydropyrimidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)C1N=CC=CN1
InChIInChI=1S/C5H7N3O.ClH/c6-4(9)5-7-2-1-3-8-5;/h1-3,5,7H,(H2,6,9);1H
InChIKeyCBNZHIQBHXKVDP-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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Related Compounds

1,5]Diazepin-6-one
CID 67060830
Dihydropyrimidine-hydroxamic acid
CID 170984098
2-(1,4-Diazepin-1-yl)acetamide
CID 18001140
2H-pyrimidinecarboxamide
CID 22318737
2-(2H-pyrimidin-1-yl)acetamide
CID 22747793
2-amino-1H-pyrimidine-2-carboxamide
CID 67854524
2H-pyrimidinecarboxamide chloride
CID 86742628
1,3-Dihydro-1,4-diazepin-2-one;hydrochloride
CID 118076544
2-methyl-1H-pyrimidine-2-carboxamide
CID 140047876
1,3-Dihydro-1,4-diazepin-2-one;dihydrochloride
CID 142416002
2-chloro-N-methyl-1H-pyrimidine-2-carboxamide
CID 149996194
1-methyl-2H-pyrimidine-2-carboxamide
CID 150865207

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrimidine-2-carboxamide;hydrochloride?
The IUPAC name of 1,2-dihydropyrimidine-2-carboxamide;hydrochloride (CID 172694013) is 1,2-dihydropyrimidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1,2-dihydropyrimidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1,2-dihydropyrimidine-2-carboxamide;hydrochloride is Cl.NC(=O)C1N=CC=CN1.
What is the InChIKey of 1,2-dihydropyrimidine-2-carboxamide;hydrochloride?
The InChIKey is CBNZHIQBHXKVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.ClH/c6-4(9)5-7-2-1-3-8-5;/h1-3,5,7H,(H2,6,9);1H.
What are the key properties of 1,2-dihydropyrimidine-2-carboxamide;hydrochloride?
1,2-dihydropyrimidine-2-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 1,2-dihydropyrimidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 172694013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).