5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine

C26H38N10O3 — CID 170396368

IUPAC5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
SMILESCN1CCN(CCOc2cnc(NC3CCC(Oc4nc(N5CCOCC5)cc5ncnn45)CC3)nc2)CC1
InChIInChI=1S/C26H38N10O3/c1-33-6-8-34(9-7-33)10-15-38-22-17-27-25(28-18-22)31-20-2-4-21(5-3-20)39-26-32-24(35-11-13-37-14-12-35)16-23-29-19-30-36(23)26/h16-21H,2-15H2,1H3,(H,27,28,31)
InChIKeyBCRFMWVYFFKPTC-UHFFFAOYSA-N
MW538.66 g/mol
LogP1.18
Rot. Bonds9

About 5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine

5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (PubChem CID 170396368) has the molecular formula C26H38N10O3 and a molecular weight of 538.66 g/mol. Its IUPAC name is 5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
PubChem CID170396368
Molecular FormulaC26H38N10O3
Molecular Weight538.66 g/mol
Exact Mass538.31
IUPAC Name5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
SMILESCN1CCN(CCOc2cnc(NC3CCC(Oc4nc(N5CCOCC5)cc5ncnn45)CC3)nc2)CC1
InChIInChI=1S/C26H38N10O3/c1-33-6-8-34(9-7-33)10-15-38-22-17-27-25(28-18-22)31-20-2-4-21(5-3-20)39-26-32-24(35-11-13-37-14-12-35)16-23-29-19-30-36(23)26/h16-21H,2-15H2,1H3,(H,27,28,31)
InChIKeyBCRFMWVYFFKPTC-UHFFFAOYSA-N
XLogP1.18
TPSA118.30 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.66
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (CID 170396368) is 5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine is CN1CCN(CCOc2cnc(NC3CCC(Oc4nc(N5CCOCC5)cc5ncnn45)CC3)nc2)CC1.
What is the InChIKey of 5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
The InChIKey is BCRFMWVYFFKPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N10O3/c1-33-6-8-34(9-7-33)10-15-38-22-17-27-25(28-18-22)31-20-2-4-21(5-3-20)39-26-32-24(35-11-13-37-14-12-35)16-23-29-19-30-36(23)26/h16-21H,2-15H2,1H3,(H,27,28,31).
What are the key properties of 5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine has a molecular weight of 538.66 g/mol, XLogP of 1.18, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 170396368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).