1,2-dihydropyrimidine-2-carboxamide chloride

C5H7ClN3O- — CID 86742628

IUPAC1,2-dihydropyrimidine-2-carboxamide chloride
SMILESNC(=O)C1N=CC=CN1.[Cl-]
InChIInChI=1S/C5H7N3O.ClH/c6-4(9)5-7-2-1-3-8-5;/h1-3,5,7H,(H2,6,9);1H/p-1
InChIKeyCBNZHIQBHXKVDP-UHFFFAOYSA-M
MW160.58 g/mol
LogP-4.01
Rot. Bonds1

About 1,2-dihydropyrimidine-2-carboxamide chloride

1,2-dihydropyrimidine-2-carboxamide chloride (PubChem CID 86742628) has the molecular formula C5H7ClN3O- and a molecular weight of 160.58 g/mol. Its IUPAC name is 1,2-dihydropyrimidine-2-carboxamide chloride.

Molecular Properties

Compound Name1,2-dihydropyrimidine-2-carboxamide chloride
PubChem CID86742628
Molecular FormulaC5H7ClN3O-
Molecular Weight160.58 g/mol
Exact Mass160.03
IUPAC Name1,2-dihydropyrimidine-2-carboxamide chloride
SMILESNC(=O)C1N=CC=CN1.[Cl-]
InChIInChI=1S/C5H7N3O.ClH/c6-4(9)5-7-2-1-3-8-5;/h1-3,5,7H,(H2,6,9);1H/p-1
InChIKeyCBNZHIQBHXKVDP-UHFFFAOYSA-M
XLogP-4.01
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 5-4.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,2-dihydropyrimidine-2-carboxamide chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5]Diazepin-6-one
CID 67060830
1,4-Diazepinedione
CID 129782430
Dihydropyrimidine-hydroxamic acid
CID 170984098
2H-pyrimidinecarboxamide
CID 22318737
2-(2H-pyrimidin-1-yl)acetamide
CID 22747793
2-(2-Oxopyrimidin-1-yl)acetamide
CID 43350582
2-amino-1H-pyrimidine-2-carboxamide
CID 67854524
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
1,3-Dihydro-1,4-diazepin-2-one;hydrobromide
CID 145236562
2-chloro-N-methyl-1H-pyrimidine-2-carboxamide
CID 149996194

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrimidine-2-carboxamide chloride?
The IUPAC name of 1,2-dihydropyrimidine-2-carboxamide chloride (CID 86742628) is 1,2-dihydropyrimidine-2-carboxamide chloride.
What is the SMILES notation for 1,2-dihydropyrimidine-2-carboxamide chloride?
The canonical SMILES for 1,2-dihydropyrimidine-2-carboxamide chloride is NC(=O)C1N=CC=CN1.[Cl-].
What is the InChIKey of 1,2-dihydropyrimidine-2-carboxamide chloride?
The InChIKey is CBNZHIQBHXKVDP-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 1,2-dihydropyrimidine-2-carboxamide chloride?
1,2-dihydropyrimidine-2-carboxamide chloride has a molecular weight of 160.58 g/mol, XLogP of -4.01, 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 chloride is sourced from PubChem (CID 86742628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).