2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine

C19H21N7 — CID 88967228

IUPAC2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine
SMILESCc1cc(/C=N\N)cc(C)c1Nc1ccnc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C19H21N7/c1-12-9-14(11-23-21)10-13(2)18(12)25-17-7-8-22-19(26-17)24-16-5-3-15(20)4-6-16/h3-11H,20-21H2,1-2H3,(H2,22,24,25,26)/b23-11-
InChIKeyDCPZCOQYMNYLLL-KSEXSDGBSA-N
MW347.43 g/mol
LogP3.46
Rot. Bonds5

About 2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine

2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine (PubChem CID 88967228) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine
PubChem CID88967228
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine
SMILESCc1cc(/C=N\N)cc(C)c1Nc1ccnc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C19H21N7/c1-12-9-14(11-23-21)10-13(2)18(12)25-17-7-8-22-19(26-17)24-16-5-3-15(20)4-6-16/h3-11H,20-21H2,1-2H3,(H2,22,24,25,26)/b23-11-
InChIKeyDCPZCOQYMNYLLL-KSEXSDGBSA-N
XLogP3.46
TPSA114.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[4-(2-iminoethenyl)-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile
CID 176542646
4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 146212994
4-[[4-[4-[(Z)-2-azabicyclo[2.1.0]pentan-2-yliminomethyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile
CID 142903223
4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile;hydron
CID 70678951
4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzamide
CID 129011928
4-[[4-(4-iodo-2,6-dimethylanilino)pyrimidin-2-yl]amino]benzonitrile
CID 58719821
(E)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile;4-[(4-chloropyrimidin-2-yl)amino]benzonitrile;4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile;hydrochloride
CID 159726970
4-[(2-aminopyrimidin-4-yl)amino]-3,5-dimethylbenzaldehyde
CID 155906575
N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide
CID 10221937
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930313
4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]-3,5-dideuteriobenzonitrile
CID 53372848

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine (CID 88967228) is 2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine is Cc1cc(/C=N\N)cc(C)c1Nc1ccnc(Nc2ccc(N)cc2)n1.
What is the InChIKey of 2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine?
The InChIKey is DCPZCOQYMNYLLL-KSEXSDGBSA-N. The full InChI is InChI=1S/C19H21N7/c1-12-9-14(11-23-21)10-13(2)18(12)25-17-7-8-22-19(26-17)24-16-5-3-15(20)4-6-16/h3-11H,20-21H2,1-2H3,(H2,22,24,25,26)/b23-11-.
What are the key properties of 2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine?
2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine has a molecular weight of 347.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminophenyl)-4-N-[4-[(Z)-hydrazinylidenemethyl]-2,6-dimethylphenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 88967228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).