2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine

C20H22N6 — CID 72577513

IUPAC2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine
SMILESCNc1ccc(C(C)=NNc2nc(C)nc(-c3ccccc3)c2N)cc1
InChIInChI=1S/C20H22N6/c1-13(15-9-11-17(22-3)12-10-15)25-26-20-18(21)19(23-14(2)24-20)16-7-5-4-6-8-16/h4-12,22H,21H2,1-3H3,(H,23,24,26)
InChIKeyOUZANVGPKDQNJB-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.91
Rot. Bonds5

About 2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine

2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine (PubChem CID 72577513) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine
PubChem CID72577513
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine
SMILESCNc1ccc(C(C)=NNc2nc(C)nc(-c3ccccc3)c2N)cc1
InChIInChI=1S/C20H22N6/c1-13(15-9-11-17(22-3)12-10-15)25-26-20-18(21)19(23-14(2)24-20)16-7-5-4-6-8-16/h4-12,22H,21H2,1-3H3,(H,23,24,26)
InChIKeyOUZANVGPKDQNJB-UHFFFAOYSA-N
XLogP3.91
TPSA88.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.91
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-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine?
The IUPAC name of 2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine (CID 72577513) is 2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine is CNc1ccc(C(C)=NNc2nc(C)nc(-c3ccccc3)c2N)cc1.
What is the InChIKey of 2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine?
The InChIKey is OUZANVGPKDQNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-13(15-9-11-17(22-3)12-10-15)25-26-20-18(21)19(23-14(2)24-20)16-7-5-4-6-8-16/h4-12,22H,21H2,1-3H3,(H,23,24,26).
What are the key properties of 2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine?
2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine has a molecular weight of 346.44 g/mol, XLogP of 3.91, 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-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine is sourced from PubChem (CID 72577513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).