N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide

C19H19ClN6O — CID 22541026

IUPACN'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESCc1cc(C)cc(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)c1
InChIInChI=1S/C19H19ClN6O/c1-11-6-12(2)8-15(7-11)24-17-16(21)18(23-10-22-17)25-26-19(27)13-4-3-5-14(20)9-13/h3-10H,21H2,1-2H3,(H,26,27)(H2,22,23,24,25)
InChIKeyBQCWVAYZFLLDBY-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.83
Rot. Bonds5

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

N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide (PubChem CID 22541026) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
PubChem CID22541026
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC NameN'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESCc1cc(C)cc(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)c1
InChIInChI=1S/C19H19ClN6O/c1-11-6-12(2)8-15(7-11)24-17-16(21)18(23-10-22-17)25-26-19(27)13-4-3-5-14(20)9-13/h3-10H,21H2,1-2H3,(H,26,27)(H2,22,23,24,25)
InChIKeyBQCWVAYZFLLDBY-UHFFFAOYSA-N
XLogP3.83
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.83
H-Bond Donors ≤ 54
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'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19148807
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19150628
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22541016
N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19135280
N'-[5-amino-6-(3,5-dichloroanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22545003
N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151582
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151561
N'-[5-amino-6-(5-chloro-2,4-dimethoxyanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151549
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19144781
N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151564
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19148584
N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19138262

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide (CID 22541026) is N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide is Cc1cc(C)cc(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)c1.
What is the InChIKey of N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The InChIKey is BQCWVAYZFLLDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c1-11-6-12(2)8-15(7-11)24-17-16(21)18(23-10-22-17)25-26-19(27)13-4-3-5-14(20)9-13/h3-10H,21H2,1-2H3,(H,26,27)(H2,22,23,24,25).
What are the key properties of N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide has a molecular weight of 382.86 g/mol, XLogP of 3.83, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide is sourced from PubChem (CID 22541026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).