4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine

C30H32N6O5 — CID 142765179

IUPAC4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine
SMILESCOc1cnc(-c2ccc(Oc3ccc(-c4ncc(OC)c(N5CCOCC5)n4)cc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C30H32N6O5/c1-37-25-19-31-27(33-29(25)35-11-15-39-16-12-35)21-3-7-23(8-4-21)41-24-9-5-22(6-10-24)28-32-20-26(38-2)30(34-28)36-13-17-40-18-14-36/h3-10,19-20H,11-18H2,1-2H3
InChIKeyRZIOWJQLEUBBDX-UHFFFAOYSA-N
MW556.62 g/mol
LogP4.08
Rot. Bonds8

About 4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine

4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine (PubChem CID 142765179) has the molecular formula C30H32N6O5 and a molecular weight of 556.62 g/mol. Its IUPAC name is 4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine
PubChem CID142765179
Molecular FormulaC30H32N6O5
Molecular Weight556.62 g/mol
Exact Mass556.24
IUPAC Name4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine
SMILESCOc1cnc(-c2ccc(Oc3ccc(-c4ncc(OC)c(N5CCOCC5)n4)cc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C30H32N6O5/c1-37-25-19-31-27(33-29(25)35-11-15-39-16-12-35)21-3-7-23(8-4-21)41-24-9-5-22(6-10-24)28-32-20-26(38-2)30(34-28)36-13-17-40-18-14-36/h3-10,19-20H,11-18H2,1-2H3
InChIKeyRZIOWJQLEUBBDX-UHFFFAOYSA-N
XLogP4.08
TPSA104.19 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.62
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

4-(5-methoxy-2-phenylpyrimidin-4-yl)morpholine
CID 3329093
[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate
CID 151436161
N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine
CID 70975381
1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 87343885
4-[6-chloro-2-[4-[4-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]-5-methylsulfanylpyrimidin-4-yl]morpholine
CID 142765183
4-(5-chloro-2-phenylpyrimidin-4-yl)morpholine
CID 121004493
4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922588
4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile
CID 3299494
2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 53214965
5-methoxy-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine
CID 1470848
4-[7-chloro-2-[4-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 118237190
4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine
CID 170871376

Frequently Asked Questions

What is the IUPAC name of 4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine (CID 142765179) is 4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine is COc1cnc(-c2ccc(Oc3ccc(-c4ncc(OC)c(N5CCOCC5)n4)cc3)cc2)nc1N1CCOCC1.
What is the InChIKey of 4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine?
The InChIKey is RZIOWJQLEUBBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O5/c1-37-25-19-31-27(33-29(25)35-11-15-39-16-12-35)21-3-7-23(8-4-21)41-24-9-5-22(6-10-24)28-32-20-26(38-2)30(34-28)36-13-17-40-18-14-36/h3-10,19-20H,11-18H2,1-2H3.
What are the key properties of 4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine?
4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine has a molecular weight of 556.62 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 142765179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).