(3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone

C22H20ClFN4O2 — CID 142238635

IUPAC(3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone
SMILESC=C1C=C(c2ccncc2)N=C(N2CCOC(C(=O)c3cc(F)cc(Cl)c3)C2)N1C
InChIInChI=1S/C22H20ClFN4O2/c1-14-9-19(15-3-5-25-6-4-15)26-22(27(14)2)28-7-8-30-20(13-28)21(29)16-10-17(23)12-18(24)11-16/h3-6,9-12,20H,1,7-8,13H2,2H3
InChIKeyHSESPYQCRJMWRR-UHFFFAOYSA-N
MW426.88 g/mol
LogP3.61
Rot. Bonds3

About (3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone

(3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone (PubChem CID 142238635) has the molecular formula C22H20ClFN4O2 and a molecular weight of 426.88 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone
PubChem CID142238635
Molecular FormulaC22H20ClFN4O2
Molecular Weight426.88 g/mol
Exact Mass426.13
IUPAC Name(3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone
SMILESC=C1C=C(c2ccncc2)N=C(N2CCOC(C(=O)c3cc(F)cc(Cl)c3)C2)N1C
InChIInChI=1S/C22H20ClFN4O2/c1-14-9-19(15-3-5-25-6-4-15)26-22(27(14)2)28-7-8-30-20(13-28)21(29)16-10-17(23)12-18(24)11-16/h3-6,9-12,20H,1,7-8,13H2,2H3
InChIKeyHSESPYQCRJMWRR-UHFFFAOYSA-N
XLogP3.61
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)-2-phenylmorpholine
CID 142238683
2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59793951
1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine
CID 142238726
3,4-dihydro-2H-quinolin-1-yl-[1-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 142238753
(5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone
CID 79077902
2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59794189
(4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 79705374
3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59794202
N-(4-fluorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide
CID 59794158
N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide
CID 59793876
(3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone
CID 107128362
(4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone
CID 79666580

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone?
The IUPAC name of (3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone (CID 142238635) is (3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone?
The canonical SMILES for (3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone is C=C1C=C(c2ccncc2)N=C(N2CCOC(C(=O)c3cc(F)cc(Cl)c3)C2)N1C.
What is the InChIKey of (3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone?
The InChIKey is HSESPYQCRJMWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O2/c1-14-9-19(15-3-5-25-6-4-15)26-22(27(14)2)28-7-8-30-20(13-28)21(29)16-10-17(23)12-18(24)11-16/h3-6,9-12,20H,1,7-8,13H2,2H3.
What are the key properties of (3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone?
(3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone has a molecular weight of 426.88 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone is sourced from PubChem (CID 142238635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).