N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide

C19H18Cl2N6O — CID 22539627

IUPACN'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESCN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C19H18Cl2N6O/c1-27(10-12-5-3-2-4-6-12)18-16(22)17(23-11-24-18)25-26-19(28)14-8-7-13(20)9-15(14)21/h2-9,11H,10,22H2,1H3,(H,26,28)(H,23,24,25)
InChIKeyACXHYNAPGUYMSM-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.76
Rot. Bonds6

About N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide

N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (PubChem CID 22539627) has the molecular formula C19H18Cl2N6O and a molecular weight of 417.30 g/mol. Its IUPAC name is N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
PubChem CID22539627
Molecular FormulaC19H18Cl2N6O
Molecular Weight417.30 g/mol
Exact Mass416.09
IUPAC NameN'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESCN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C19H18Cl2N6O/c1-27(10-12-5-3-2-4-6-12)18-16(22)17(23-11-24-18)25-26-19(28)14-8-7-13(20)9-15(14)21/h2-9,11H,10,22H2,1H3,(H,26,28)(H,23,24,25)
InChIKeyACXHYNAPGUYMSM-UHFFFAOYSA-N
XLogP3.76
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 23478056
N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151677
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135477
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151724
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151321
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135671
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22539636
N'-[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22544373
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22545648
N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151719
N'-[5-amino-6-(4-propan-2-ylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19134693
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19146756

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (CID 22539627) is N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The InChIKey is ACXHYNAPGUYMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6O/c1-27(10-12-5-3-2-4-6-12)18-16(22)17(23-11-24-18)25-26-19(28)14-8-7-13(20)9-15(14)21/h2-9,11H,10,22H2,1H3,(H,26,28)(H,23,24,25).
What are the key properties of N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide has a molecular weight of 417.30 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is sourced from PubChem (CID 22539627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).