4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine

C19H25N5O2 — CID 91059537

IUPAC4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine
SMILESCOc1ccc(N2CCNCC2)c(-c2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C19H25N5O2/c1-25-16-2-3-18(23-6-4-20-5-7-23)17(12-16)15-13-21-19(22-14-15)24-8-10-26-11-9-24/h2-3,12-14,20H,4-11H2,1H3
InChIKeyYGOXJAAIFCKZQK-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.40
Rot. Bonds4

About 4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine

4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine (PubChem CID 91059537) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine
PubChem CID91059537
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine
SMILESCOc1ccc(N2CCNCC2)c(-c2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C19H25N5O2/c1-25-16-2-3-18(23-6-4-20-5-7-23)17(12-16)15-13-21-19(22-14-15)24-8-10-26-11-9-24/h2-3,12-14,20H,4-11H2,1H3
InChIKeyYGOXJAAIFCKZQK-UHFFFAOYSA-N
XLogP1.40
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine
CID 104707166
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028
5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole
CID 117209973
7-methoxy-3-(4-methoxyphenyl)-1-methyl-5-morpholin-4-ylquinolin-4-one
CID 18771363
4-methoxy-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 138541975
4-methoxy-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]aniline
CID 138541974
4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 1338553
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846
6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507485
4-(2-ethenyl-5-methoxyphenyl)morpholine
CID 67806391
2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 87011465

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine (CID 91059537) is 4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine is COc1ccc(N2CCNCC2)c(-c2cnc(N3CCOCC3)nc2)c1.
What is the InChIKey of 4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine?
The InChIKey is YGOXJAAIFCKZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-25-16-2-3-18(23-6-4-20-5-7-23)17(12-16)15-13-21-19(22-14-15)24-8-10-26-11-9-24/h2-3,12-14,20H,4-11H2,1H3.
What are the key properties of 4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine?
4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine has a molecular weight of 355.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 91059537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).