5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride

C6H8Cl2N4O — CID 131160011

IUPAC5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride
SMILESCc1ncc(Cl)c(C(=O)NN)n1.Cl
InChIInChI=1S/C6H7ClN4O.ClH/c1-3-9-2-4(7)5(10-3)6(12)11-8;/h2H,8H2,1H3,(H,11,12);1H
InChIKeyBZXDQSYPJNPLDZ-UHFFFAOYSA-N
MW223.06 g/mol
LogP0.46
Rot. Bonds1

About 5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride

5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride (PubChem CID 131160011) has the molecular formula C6H8Cl2N4O and a molecular weight of 223.06 g/mol. Its IUPAC name is 5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride
PubChem CID131160011
Molecular FormulaC6H8Cl2N4O
Molecular Weight223.06 g/mol
Exact Mass222.01
IUPAC Name5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride
SMILESCc1ncc(Cl)c(C(=O)NN)n1.Cl
InChIInChI=1S/C6H7ClN4O.ClH/c1-3-9-2-4(7)5(10-3)6(12)11-8;/h2H,8H2,1H3,(H,11,12);1H
InChIKeyBZXDQSYPJNPLDZ-UHFFFAOYSA-N
XLogP0.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide
CID 136527349
5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide
CID 111485074
5,6-dichloropyrazine-2,3-dicarbohydrazide
CID 162717710
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119521608
ethyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoate
CID 47462370
5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide
CID 167908262
5-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 79249652
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 79250102
methyl 5-amino-2-methylpyrimidine-4-carboxylate
CID 84717183
2-(2-methylpyrimidin-5-yl)acetohydrazide
CID 46705518

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride?
The IUPAC name of 5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride (CID 131160011) is 5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride.
What is the SMILES notation for 5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride?
The canonical SMILES for 5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride is Cc1ncc(Cl)c(C(=O)NN)n1.Cl.
What is the InChIKey of 5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride?
The InChIKey is BZXDQSYPJNPLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O.ClH/c1-3-9-2-4(7)5(10-3)6(12)11-8;/h2H,8H2,1H3,(H,11,12);1H.
What are the key properties of 5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride?
5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride has a molecular weight of 223.06 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride is sourced from PubChem (CID 131160011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).