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

C19H19ClN6O — CID 22546673

IUPACN'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCc1ccc(Nc2ncnc(NNC(=O)c3ccccc3C)c2N)cc1Cl
InChIInChI=1S/C19H19ClN6O/c1-11-5-3-4-6-14(11)19(27)26-25-18-16(21)17(22-10-23-18)24-13-8-7-12(2)15(20)9-13/h3-10H,21H2,1-2H3,(H,26,27)(H2,22,23,24,25)
InChIKeyZSCHRSFNIBJRJE-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.83
Rot. Bonds5

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

N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide (PubChem CID 22546673) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
PubChem CID22546673
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC NameN'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCc1ccc(Nc2ncnc(NNC(=O)c3ccccc3C)c2N)cc1Cl
InChIInChI=1S/C19H19ClN6O/c1-11-5-3-4-6-14(11)19(27)26-25-18-16(21)17(22-10-23-18)24-13-8-7-12(2)15(20)9-13/h3-10H,21H2,1-2H3,(H,26,27)(H2,22,23,24,25)
InChIKeyZSCHRSFNIBJRJE-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-(3-chloro-4-methylanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22546682
N'-[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22547281
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19146738
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19148804
N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149115
2-bromo-N'-[6-(3-chloro-4-methylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23485328
ethyl 2-[[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 22546738
4-[[5-amino-6-[2-(2-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide
CID 19145319
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150925
N'-[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22547285
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19148592
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19134881

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The IUPAC name of N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide (CID 22546673) is N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide is Cc1ccc(Nc2ncnc(NNC(=O)c3ccccc3C)c2N)cc1Cl.
What is the InChIKey of N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The InChIKey is ZSCHRSFNIBJRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c1-11-5-3-4-6-14(11)19(27)26-25-18-16(21)17(22-10-23-18)24-13-8-7-12(2)15(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-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide?
N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide 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-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide is sourced from PubChem (CID 22546673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).