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

C19H20N6O — CID 19148584

IUPACN'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
SMILESCc1ccc(Nc2ncnc(NNC(=O)c3ccc(C)cc3)c2N)cc1
InChIInChI=1S/C19H20N6O/c1-12-3-7-14(8-4-12)19(26)25-24-18-16(20)17(21-11-22-18)23-15-9-5-13(2)6-10-15/h3-11H,20H2,1-2H3,(H,25,26)(H2,21,22,23,24)
InChIKeyHQOYRBLWCLKLJI-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.18
Rot. Bonds5

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

N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide (PubChem CID 19148584) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
PubChem CID19148584
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
SMILESCc1ccc(Nc2ncnc(NNC(=O)c3ccc(C)cc3)c2N)cc1
InChIInChI=1S/C19H20N6O/c1-12-3-7-14(8-4-12)19(26)25-24-18-16(20)17(21-11-22-18)23-15-9-5-13(2)6-10-15/h3-11H,20H2,1-2H3,(H,25,26)(H2,21,22,23,24)
InChIKeyHQOYRBLWCLKLJI-UHFFFAOYSA-N
XLogP3.18
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.18
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-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22541016
N'-[5-amino-6-(3,5-dichloroanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22545003
N'-[5-amino-6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150738
N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150707
N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19150657
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19148592
4-[[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid
CID 19151801
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19148800
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19148906
N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22543504
N'-[5-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151006
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19149215

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide?
The IUPAC name of N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide (CID 19148584) is N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide is Cc1ccc(Nc2ncnc(NNC(=O)c3ccc(C)cc3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide?
The InChIKey is HQOYRBLWCLKLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-12-3-7-14(8-4-12)19(26)25-24-18-16(20)17(21-11-22-18)23-15-9-5-13(2)6-10-15/h3-11H,20H2,1-2H3,(H,25,26)(H2,21,22,23,24).
What are the key properties of N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide?
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide has a molecular weight of 348.41 g/mol, XLogP of 3.18, 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-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide is sourced from PubChem (CID 19148584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).