N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide

C17H16ClN7O2 — CID 19151506

IUPACN'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(Nc2cccnc2Cl)c1N
InChIInChI=1S/C17H16ClN7O2/c1-27-12-7-3-2-5-10(12)17(26)25-24-16-13(19)15(21-9-22-16)23-11-6-4-8-20-14(11)18/h2-9H,19H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyQJXXZGDHKYZXIY-UHFFFAOYSA-N
MW385.82 g/mol
LogP2.62
Rot. Bonds6

About N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide

N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide (PubChem CID 19151506) has the molecular formula C17H16ClN7O2 and a molecular weight of 385.82 g/mol. Its IUPAC name is N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide
PubChem CID19151506
Molecular FormulaC17H16ClN7O2
Molecular Weight385.82 g/mol
Exact Mass385.11
IUPAC NameN'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(Nc2cccnc2Cl)c1N
InChIInChI=1S/C17H16ClN7O2/c1-27-12-7-3-2-5-10(12)17(26)25-24-16-13(19)15(21-9-22-16)23-11-6-4-8-20-14(11)18/h2-9H,19H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyQJXXZGDHKYZXIY-UHFFFAOYSA-N
XLogP2.62
TPSA127.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.82
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide
CID 23477575
N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19144360
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151344
N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151582
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide
CID 19151456
N'-[5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19146496
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19145725
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151468
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19145189
N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide
CID 19137718
N'-[6-(2,3-dichloroanilino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 22530945
2-methoxy-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22536109

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide?
The IUPAC name of N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide (CID 19151506) is N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide is COc1ccccc1C(=O)NNc1ncnc(Nc2cccnc2Cl)c1N.
What is the InChIKey of N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide?
The InChIKey is QJXXZGDHKYZXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7O2/c1-27-12-7-3-2-5-10(12)17(26)25-24-16-13(19)15(21-9-22-16)23-11-6-4-8-20-14(11)18/h2-9H,19H2,1H3,(H,25,26)(H2,21,22,23,24).
What are the key properties of N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide?
N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide has a molecular weight of 385.82 g/mol, XLogP of 2.62, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide is sourced from PubChem (CID 19151506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).