4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine

C26H28N8O2 — CID 25222039

IUPAC4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
SMILESc1cc(-c2ccnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)n2)cc(N2CCOCC2)c1
InChIInChI=1S/C26H28N8O2/c1-2-20(18-23(3-1)32-10-14-35-15-11-32)24-8-9-27-25(30-24)29-21-4-6-22(7-5-21)34-19-28-26(31-34)33-12-16-36-17-13-33/h1-9,18-19H,10-17H2,(H,27,29,30)
InChIKeyAKDSWFMRZVPSFG-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.14
Rot. Bonds6

About 4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine

4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine (PubChem CID 25222039) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
PubChem CID25222039
Molecular FormulaC26H28N8O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
SMILESc1cc(-c2ccnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)n2)cc(N2CCOCC2)c1
InChIInChI=1S/C26H28N8O2/c1-2-20(18-23(3-1)32-10-14-35-15-11-32)24-8-9-27-25(30-24)29-21-4-6-22(7-5-21)34-19-28-26(31-34)33-12-16-36-17-13-33/h1-9,18-19H,10-17H2,(H,27,29,30)
InChIKeyAKDSWFMRZVPSFG-UHFFFAOYSA-N
XLogP3.14
TPSA93.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine (CID 25222039) is 4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine is c1cc(-c2ccnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)n2)cc(N2CCOCC2)c1.
What is the InChIKey of 4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine?
The InChIKey is AKDSWFMRZVPSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2/c1-2-20(18-23(3-1)32-10-14-35-15-11-32)24-8-9-27-25(30-24)29-21-4-6-22(7-5-21)34-19-28-26(31-34)33-12-16-36-17-13-33/h1-9,18-19H,10-17H2,(H,27,29,30).
What are the key properties of 4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine?
4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine has a molecular weight of 484.56 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 25222039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).