2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide

C12H12IN5O — CID 114220575

IUPAC2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2I)nc(NN)n1
InChIInChI=1S/C12H12IN5O/c1-7-6-10(17-12(15-7)18-14)11(19)16-9-5-3-2-4-8(9)13/h2-6H,14H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyYDPIXDLKVWNMKV-UHFFFAOYSA-N
MW369.17 g/mol
LogP1.93
Rot. Bonds3

About 2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide

2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 114220575) has the molecular formula C12H12IN5O and a molecular weight of 369.17 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID114220575
Molecular FormulaC12H12IN5O
Molecular Weight369.17 g/mol
Exact Mass369.01
IUPAC Name2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2I)nc(NN)n1
InChIInChI=1S/C12H12IN5O/c1-7-6-10(17-12(15-7)18-14)11(19)16-9-5-3-2-4-8(9)13/h2-6H,14H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyYDPIXDLKVWNMKV-UHFFFAOYSA-N
XLogP1.93
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 114220571
N-(2-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31700169
2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548
2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338178
N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
CID 109332691
6-hydrazinyl-N-(2-iodophenyl)pyridazine-3-carboxamide
CID 62243106
2-hydrazinyl-N-(2-iodophenyl)-5-methylbenzamide
CID 62512985
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
4-amino-N-(2-iodophenyl)quinoline-2-carboxamide
CID 63375620
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397
N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320908
6-methyl-N-(2-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320120

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide (CID 114220575) is 2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2I)nc(NN)n1.
What is the InChIKey of 2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is YDPIXDLKVWNMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN5O/c1-7-6-10(17-12(15-7)18-14)11(19)16-9-5-3-2-4-8(9)13/h2-6H,14H2,1H3,(H,16,19)(H,15,17,18).
What are the key properties of 2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide?
2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 369.17 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114220575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).