2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine

C33H32N4O2 — CID 66758630

IUPAC2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine
SMILESCOc1cc(-c2ccccc2)c(C)cc1Nc1ncc(C)c(Nc2cc(C)c(-c3ccccc3)cc2OC)n1
InChIInChI=1S/C33H32N4O2/c1-21-16-28(30(38-4)18-26(21)24-12-8-6-9-13-24)35-32-23(3)20-34-33(37-32)36-29-17-22(2)27(19-31(29)39-5)25-14-10-7-11-15-25/h6-20H,1-5H3,(H2,34,35,36,37)
InChIKeyWLWBQVLILGSNMR-UHFFFAOYSA-N
MW516.65 g/mol
LogP8.24
Rot. Bonds8

About 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine

2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine (PubChem CID 66758630) has the molecular formula C33H32N4O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine
PubChem CID66758630
Molecular FormulaC33H32N4O2
Molecular Weight516.65 g/mol
Exact Mass516.25
IUPAC Name2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine
SMILESCOc1cc(-c2ccccc2)c(C)cc1Nc1ncc(C)c(Nc2cc(C)c(-c3ccccc3)cc2OC)n1
InChIInChI=1S/C33H32N4O2/c1-21-16-28(30(38-4)18-26(21)24-12-8-6-9-13-24)35-32-23(3)20-34-33(37-32)36-29-17-22(2)27(19-31(29)39-5)25-14-10-7-11-15-25/h6-20H,1-5H3,(H2,34,35,36,37)
InChIKeyWLWBQVLILGSNMR-UHFFFAOYSA-N
XLogP8.24
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 58.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine (CID 66758630) is 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine is COc1cc(-c2ccccc2)c(C)cc1Nc1ncc(C)c(Nc2cc(C)c(-c3ccccc3)cc2OC)n1.
What is the InChIKey of 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is WLWBQVLILGSNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O2/c1-21-16-28(30(38-4)18-26(21)24-12-8-6-9-13-24)35-32-23(3)20-34-33(37-32)36-29-17-22(2)27(19-31(29)39-5)25-14-10-7-11-15-25/h6-20H,1-5H3,(H2,34,35,36,37).
What are the key properties of 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine?
2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 516.65 g/mol, XLogP of 8.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 66758630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).