4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine

C27H32N8O2 — CID 146252897

IUPAC4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine
SMILESCc1nc2nc(C)c(OC3CCN(c4ccc(-c5cnc(CN6CCOCC6)nc5)cc4)C3)c(C)n2n1
InChIInChI=1S/C27H32N8O2/c1-18-26(19(2)35-27(30-18)31-20(3)32-35)37-24-8-9-34(16-24)23-6-4-21(5-7-23)22-14-28-25(29-15-22)17-33-10-12-36-13-11-33/h4-7,14-15,24H,8-13,16-17H2,1-3H3
InChIKeyMWCRPGISCKHHPC-UHFFFAOYSA-N
MW500.61 g/mol
LogP3.00
Rot. Bonds6

About 4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine

4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine (PubChem CID 146252897) has the molecular formula C27H32N8O2 and a molecular weight of 500.61 g/mol. Its IUPAC name is 4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine
PubChem CID146252897
Molecular FormulaC27H32N8O2
Molecular Weight500.61 g/mol
Exact Mass500.26
IUPAC Name4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine
SMILESCc1nc2nc(C)c(OC3CCN(c4ccc(-c5cnc(CN6CCOCC6)nc5)cc4)C3)c(C)n2n1
InChIInChI=1S/C27H32N8O2/c1-18-26(19(2)35-27(30-18)31-20(3)32-35)37-24-8-9-34(16-24)23-6-4-21(5-7-23)22-14-28-25(29-15-22)17-33-10-12-36-13-11-33/h4-7,14-15,24H,8-13,16-17H2,1-3H3
InChIKeyMWCRPGISCKHHPC-UHFFFAOYSA-N
XLogP3.00
TPSA93.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.61
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine (CID 146252897) is 4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine is Cc1nc2nc(C)c(OC3CCN(c4ccc(-c5cnc(CN6CCOCC6)nc5)cc4)C3)c(C)n2n1.
What is the InChIKey of 4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine?
The InChIKey is MWCRPGISCKHHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O2/c1-18-26(19(2)35-27(30-18)31-20(3)32-35)37-24-8-9-34(16-24)23-6-4-21(5-7-23)22-14-28-25(29-15-22)17-33-10-12-36-13-11-33/h4-7,14-15,24H,8-13,16-17H2,1-3H3.
What are the key properties of 4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine?
4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine has a molecular weight of 500.61 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine is sourced from PubChem (CID 146252897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).