2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine

C19H20N6 — CID 89355630

IUPAC2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine
SMILESCNc1ccc(/C=N/Nc2nc(C)nc(-c3ccccc3)c2N)cc1
InChIInChI=1S/C19H20N6/c1-13-23-18(15-6-4-3-5-7-15)17(20)19(24-13)25-22-12-14-8-10-16(21-2)11-9-14/h3-12,21H,20H2,1-2H3,(H,23,24,25)/b22-12+
InChIKeyZHEQIEZEHJCEMQ-WSDLNYQXSA-N
MW332.41 g/mol
LogP3.52
Rot. Bonds5

About 2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine

2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine (PubChem CID 89355630) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine
PubChem CID89355630
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine
SMILESCNc1ccc(/C=N/Nc2nc(C)nc(-c3ccccc3)c2N)cc1
InChIInChI=1S/C19H20N6/c1-13-23-18(15-6-4-3-5-7-15)17(20)19(24-13)25-22-12-14-8-10-16(21-2)11-9-14/h3-12,21H,20H2,1-2H3,(H,23,24,25)/b22-12+
InChIKeyZHEQIEZEHJCEMQ-WSDLNYQXSA-N
XLogP3.52
TPSA88.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine?
The IUPAC name of 2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine (CID 89355630) is 2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine is CNc1ccc(/C=N/Nc2nc(C)nc(-c3ccccc3)c2N)cc1.
What is the InChIKey of 2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine?
The InChIKey is ZHEQIEZEHJCEMQ-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H20N6/c1-13-23-18(15-6-4-3-5-7-15)17(20)19(24-13)25-22-12-14-8-10-16(21-2)11-9-14/h3-12,21H,20H2,1-2H3,(H,23,24,25)/b22-12+.
What are the key properties of 2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine?
2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine has a molecular weight of 332.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine is sourced from PubChem (CID 89355630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).