3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride

C22H22ClF3N4O3 — CID 162307517

IUPAC3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride
SMILESCl.Cn1c(N2CCOC(c3ccccc3OCC(F)(F)F)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C22H21F3N4O3.ClH/c1-28-20(30)12-17(15-6-8-26-9-7-15)27-21(28)29-10-11-31-19(13-29)16-4-2-3-5-18(16)32-14-22(23,24)25;/h2-9,12,19H,10-11,13-14H2,1H3;1H
InChIKeyYRKPRIZGXWMXKF-UHFFFAOYSA-N
MW482.89 g/mol
LogP3.78
Rot. Bonds5

About 3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride

3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride (PubChem CID 162307517) has the molecular formula C22H22ClF3N4O3 and a molecular weight of 482.89 g/mol. Its IUPAC name is 3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride
PubChem CID162307517
Molecular FormulaC22H22ClF3N4O3
Molecular Weight482.89 g/mol
Exact Mass482.13
IUPAC Name3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride
SMILESCl.Cn1c(N2CCOC(c3ccccc3OCC(F)(F)F)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C22H21F3N4O3.ClH/c1-28-20(30)12-17(15-6-8-26-9-7-15)27-21(28)29-10-11-31-19(13-29)16-4-2-3-5-18(16)32-14-22(23,24)25;/h2-9,12,19H,10-11,13-14H2,1H3;1H
InChIKeyYRKPRIZGXWMXKF-UHFFFAOYSA-N
XLogP3.78
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.89
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 142238593
2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59794037
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
3-methyl-6-pyridin-4-yl-2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one
CID 10224712
3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one
CID 59794151
2-[7-(2-methoxyphenyl)-1,4-oxazepan-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 67281261
3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 142238628
3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59794055
6-[(2R)-2-(2-methoxyphenyl)morpholin-4-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one
CID 53325013
3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59794202
1-[4-[4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]-3-pyridin-3-ylthiourea
CID 76594500

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride (CID 162307517) is 3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride is Cl.Cn1c(N2CCOC(c3ccccc3OCC(F)(F)F)C2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride?
The InChIKey is YRKPRIZGXWMXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3.ClH/c1-28-20(30)12-17(15-6-8-26-9-7-15)27-21(28)29-10-11-31-19(13-29)16-4-2-3-5-18(16)32-14-22(23,24)25;/h2-9,12,19H,10-11,13-14H2,1H3;1H.
What are the key properties of 3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride?
3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride has a molecular weight of 482.89 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 162307517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).