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

C27H34N6O3 — CID 25015107

IUPAC2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(5-methoxy-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(C)c(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C27H34N6O3/c1-20-4-5-24(34-3)19-25(20)31(2)26-6-7-28-27(30-26)29-21-16-22(32-8-12-35-13-9-32)18-23(17-21)33-10-14-36-15-11-33/h4-7,16-19H,8-15H2,1-3H3,(H,28,29,30)
InChIKeyRIXPLQXGEZCOTA-UHFFFAOYSA-N
MW490.61 g/mol
LogP3.98
Rot. Bonds7

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

2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(5-methoxy-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 25015107) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(5-methoxy-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(5-methoxy-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID25015107
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Name2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(5-methoxy-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(C)c(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C27H34N6O3/c1-20-4-5-24(34-3)19-25(20)31(2)26-6-7-28-27(30-26)29-21-16-22(32-8-12-35-13-9-32)18-23(17-21)33-10-14-36-15-11-33/h4-7,16-19H,8-15H2,1-3H3,(H,28,29,30)
InChIKeyRIXPLQXGEZCOTA-UHFFFAOYSA-N
XLogP3.98
TPSA75.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(5-methoxy-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(5-methoxy-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine (CID 25015107) is 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(5-methoxy-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(5-methoxy-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(5-methoxy-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine is COc1ccc(C)c(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1.
What is the InChIKey of 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(5-methoxy-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is RIXPLQXGEZCOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-20-4-5-24(34-3)19-25(20)31(2)26-6-7-28-27(30-26)29-21-16-22(32-8-12-35-13-9-32)18-23(17-21)33-10-14-36-15-11-33/h4-7,16-19H,8-15H2,1-3H3,(H,28,29,30).
What are the key properties of 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(5-methoxy-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine?
2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(5-methoxy-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 490.61 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(5-methoxy-2-methylphenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 25015107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).