N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide

C19H19ClN6O2 — CID 19142591

IUPACN'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESCOc1ccc(CNc2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)cc1
InChIInChI=1S/C19H19ClN6O2/c1-28-15-7-5-12(6-8-15)10-22-17-16(21)18(24-11-23-17)25-26-19(27)13-3-2-4-14(20)9-13/h2-9,11H,10,21H2,1H3,(H,26,27)(H2,22,23,24,25)
InChIKeyMWQBERPSIVZQQC-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.09
Rot. Bonds7

About N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide

N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide (PubChem CID 19142591) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide
PubChem CID19142591
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC NameN'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESCOc1ccc(CNc2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)cc1
InChIInChI=1S/C19H19ClN6O2/c1-28-15-7-5-12(6-8-15)10-22-17-16(21)18(24-11-23-17)25-26-19(27)13-3-2-4-14(20)9-13/h2-9,11H,10,21H2,1H3,(H,26,27)(H2,22,23,24,25)
InChIKeyMWQBERPSIVZQQC-UHFFFAOYSA-N
XLogP3.09
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19135280
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19150628
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
N'-[5-amino-6-(5-chloro-2,4-dimethoxyanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151549
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 22541026
4-chloro-N'-[6-[(4-methoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23494665
(4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate
CID 870443
3-chloro-N'-[6-[(4-fluorophenyl)methylamino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22536208
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151751
N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151564
N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide
CID 19150367
N'-[5-amino-6-[butyl(methyl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19139837

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide (CID 19142591) is N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide is COc1ccc(CNc2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide?
The InChIKey is MWQBERPSIVZQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-28-15-7-5-12(6-8-15)10-22-17-16(21)18(24-11-23-17)25-26-19(27)13-3-2-4-14(20)9-13/h2-9,11H,10,21H2,1H3,(H,26,27)(H2,22,23,24,25).
What are the key properties of N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide?
N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide has a molecular weight of 398.85 g/mol, XLogP of 3.09, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide is sourced from PubChem (CID 19142591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).