4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine

C21H22N4O — CID 142238683

IUPAC4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine
SMILESC=C1C=C(c2ccncc2)N=C(N2CCOC(c3ccccc3)C2)N1C
InChIInChI=1S/C21H22N4O/c1-16-14-19(17-8-10-22-11-9-17)23-21(24(16)2)25-12-13-26-20(15-25)18-6-4-3-5-7-18/h3-11,14,20H,1,12-13,15H2,2H3
InChIKeyBEMZIOSRYLZMBY-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.31
Rot. Bonds2

About 4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine

4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine (PubChem CID 142238683) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine.

Molecular Properties

Compound Name4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine
PubChem CID142238683
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine
SMILESC=C1C=C(c2ccncc2)N=C(N2CCOC(c3ccccc3)C2)N1C
InChIInChI=1S/C21H22N4O/c1-16-14-19(17-8-10-22-11-9-17)23-21(24(16)2)25-12-13-26-20(15-25)18-6-4-3-5-7-18/h3-11,14,20H,1,12-13,15H2,2H3
InChIKeyBEMZIOSRYLZMBY-UHFFFAOYSA-N
XLogP3.31
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine
CID 142238726
(3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone
CID 142238635
2-[3-[1-(4-fluoro-2-methylphenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine
CID 142238721
3,4-dihydro-2H-quinolin-1-yl-[1-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 142238753
[1-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)piperidin-3-yl]-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)methanone
CID 142238752
(2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
CID 95709255
4-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-phenylphenyl)morpholine
CID 155405830
2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 10156508
2-[2-[4-(3-hydroxyazetidin-1-yl)phenyl]morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11640345
2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile
CID 52985652
4-propan-2-yl-2-pyridin-4-ylmorpholine
CID 176665996
(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 42653328

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine?
The IUPAC name of 4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine (CID 142238683) is 4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine.
What is the SMILES notation for 4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine?
The canonical SMILES for 4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine is C=C1C=C(c2ccncc2)N=C(N2CCOC(c3ccccc3)C2)N1C.
What is the InChIKey of 4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine?
The InChIKey is BEMZIOSRYLZMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-14-19(17-8-10-22-11-9-17)23-21(24(16)2)25-12-13-26-20(15-25)18-6-4-3-5-7-18/h3-11,14,20H,1,12-13,15H2,2H3.
What are the key properties of 4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine?
4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine has a molecular weight of 346.43 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine is sourced from PubChem (CID 142238683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).