4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine

C24H27N3O2 — CID 2218328

IUPAC4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine
SMILESCCCCc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H27N3O2/c1-2-3-7-19-10-12-21(13-11-19)29-23-18-22(27-14-16-28-17-15-27)25-24(26-23)20-8-5-4-6-9-20/h4-6,8-13,18H,2-3,7,14-17H2,1H3
InChIKeyGCPBTETUJAPPJH-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.12
Rot. Bonds7

About 4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine

4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine (PubChem CID 2218328) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine
PubChem CID2218328
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine
SMILESCCCCc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H27N3O2/c1-2-3-7-19-10-12-21(13-11-19)29-23-18-22(27-14-16-28-17-15-27)25-24(26-23)20-8-5-4-6-9-20/h4-6,8-13,18H,2-3,7,14-17H2,1H3
InChIKeyGCPBTETUJAPPJH-UHFFFAOYSA-N
XLogP5.12
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine (CID 2218328) is 4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine is CCCCc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine?
The InChIKey is GCPBTETUJAPPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-3-7-19-10-12-21(13-11-19)29-23-18-22(27-14-16-28-17-15-27)25-24(26-23)20-8-5-4-6-9-20/h4-6,8-13,18H,2-3,7,14-17H2,1H3.
What are the key properties of 4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine?
4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine has a molecular weight of 389.50 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-butylphenoxy)-2-phenylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 2218328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).