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

C20H26N8O2 — CID 170338273

IUPAC4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
SMILESCc1ccnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)n1
InChIInChI=1S/C20H26N8O2/c1-14-6-7-21-19(24-14)25-15-2-4-16(5-3-15)30-20-26-18(27-8-10-29-11-9-27)12-17-22-13-23-28(17)20/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,21,24,25)
InChIKeyGGWAFBAOOHUUNU-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.86
Rot. Bonds5

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

4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (PubChem CID 170338273) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
PubChem CID170338273
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC Name4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
SMILESCc1ccnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)n1
InChIInChI=1S/C20H26N8O2/c1-14-6-7-21-19(24-14)25-15-2-4-16(5-3-15)30-20-26-18(27-8-10-29-11-9-27)12-17-22-13-23-28(17)20/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,21,24,25)
InChIKeyGGWAFBAOOHUUNU-UHFFFAOYSA-N
XLogP1.86
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-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 4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (CID 170338273) is 4-methyl-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 4-methyl-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 4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine is Cc1ccnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)n1.
What is the InChIKey of 4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
The InChIKey is GGWAFBAOOHUUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2/c1-14-6-7-21-19(24-14)25-15-2-4-16(5-3-15)30-20-26-18(27-8-10-29-11-9-27)12-17-22-13-23-28(17)20/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,21,24,25).
What are the key properties of 4-methyl-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
4-methyl-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 410.48 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-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 170338273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).