4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine

C19H18N4O — CID 110172397

IUPAC4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine
SMILESc1ccc(-c2ncc(-c3ccncc3)c(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H18N4O/c1-2-4-16(5-3-1)18-21-14-17(15-6-8-20-9-7-15)19(22-18)23-10-12-24-13-11-23/h1-9,14H,10-13H2
InChIKeyGKRXFWAVECFUAG-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.04
Rot. Bonds3

About 4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine

4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine (PubChem CID 110172397) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine
PubChem CID110172397
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine
SMILESc1ccc(-c2ncc(-c3ccncc3)c(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H18N4O/c1-2-4-16(5-3-1)18-21-14-17(15-6-8-20-9-7-15)19(22-18)23-10-12-24-13-11-23/h1-9,14H,10-13H2
InChIKeyGKRXFWAVECFUAG-UHFFFAOYSA-N
XLogP3.04
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine (CID 110172397) is 4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine is c1ccc(-c2ncc(-c3ccncc3)c(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine?
The InChIKey is GKRXFWAVECFUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-2-4-16(5-3-1)18-21-14-17(15-6-8-20-9-7-15)19(22-18)23-10-12-24-13-11-23/h1-9,14H,10-13H2.
What are the key properties of 4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine?
4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine has a molecular weight of 318.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 110172397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).