4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine

C27H34N6O2 — CID 25014936

IUPAC4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCc1ccc(C)c(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C27H34N6O2/c1-20-4-5-21(2)25(16-20)31(3)26-6-7-28-27(30-26)29-22-17-23(32-8-12-34-13-9-32)19-24(18-22)33-10-14-35-15-11-33/h4-7,16-19H,8-15H2,1-3H3,(H,28,29,30)
InChIKeyIAVMNGJNMUJPOX-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.28
Rot. Bonds6

About 4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine

4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 25014936) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID25014936
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Name4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCc1ccc(C)c(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C27H34N6O2/c1-20-4-5-21(2)25(16-20)31(3)26-6-7-28-27(30-26)29-22-17-23(32-8-12-34-13-9-32)19-24(18-22)33-10-14-35-15-11-33/h4-7,16-19H,8-15H2,1-3H3,(H,28,29,30)
InChIKeyIAVMNGJNMUJPOX-UHFFFAOYSA-N
XLogP4.28
TPSA65.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine (CID 25014936) is 4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine is Cc1ccc(C)c(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is IAVMNGJNMUJPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-20-4-5-21(2)25(16-20)31(3)26-6-7-28-27(30-26)29-22-17-23(32-8-12-34-13-9-32)19-24(18-22)33-10-14-35-15-11-33/h4-7,16-19H,8-15H2,1-3H3,(H,28,29,30).
What are the key properties of 4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine?
4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 474.61 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 25014936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).