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

C24H35N9O3 — CID 170573021

IUPAC5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxymethyl]cyclohexyl]pyrimidin-2-amine
SMILESCN(C)CCOc1cnc(NC2CCC(COc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1
InChIInChI=1S/C24H35N9O3/c1-31(2)7-12-35-20-14-25-23(26-15-20)29-19-5-3-18(4-6-19)16-36-24-30-22(32-8-10-34-11-9-32)13-21-27-17-28-33(21)24/h13-15,17-19H,3-12,16H2,1-2H3,(H,25,26,29)
InChIKeyIFRVALNKOKFPKN-UHFFFAOYSA-N
MW497.60 g/mol
LogP1.74
Rot. Bonds10

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

5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxymethyl]cyclohexyl]pyrimidin-2-amine (PubChem CID 170573021) has the molecular formula C24H35N9O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxymethyl]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxymethyl]cyclohexyl]pyrimidin-2-amine
PubChem CID170573021
Molecular FormulaC24H35N9O3
Molecular Weight497.60 g/mol
Exact Mass497.29
IUPAC Name5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxymethyl]cyclohexyl]pyrimidin-2-amine
SMILESCN(C)CCOc1cnc(NC2CCC(COc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1
InChIInChI=1S/C24H35N9O3/c1-31(2)7-12-35-20-14-25-23(26-15-20)29-19-5-3-18(4-6-19)16-36-24-30-22(32-8-10-34-11-9-32)13-21-27-17-28-33(21)24/h13-15,17-19H,3-12,16H2,1-2H3,(H,25,26,29)
InChIKeyIFRVALNKOKFPKN-UHFFFAOYSA-N
XLogP1.74
TPSA115.06 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxymethyl]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxymethyl]cyclohexyl]pyrimidin-2-amine (CID 170573021) is 5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxymethyl]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxymethyl]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxymethyl]cyclohexyl]pyrimidin-2-amine is CN(C)CCOc1cnc(NC2CCC(COc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxymethyl]cyclohexyl]pyrimidin-2-amine?
The InChIKey is IFRVALNKOKFPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N9O3/c1-31(2)7-12-35-20-14-25-23(26-15-20)29-19-5-3-18(4-6-19)16-36-24-30-22(32-8-10-34-11-9-32)13-21-27-17-28-33(21)24/h13-15,17-19H,3-12,16H2,1-2H3,(H,25,26,29).
What are the key properties of 5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxymethyl]cyclohexyl]pyrimidin-2-amine?
5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxymethyl]cyclohexyl]pyrimidin-2-amine has a molecular weight of 497.60 g/mol, XLogP of 1.74, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxymethyl]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 170573021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).