2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C21H22N4O3 — CID 10156508

IUPAC2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCOc1cccc(C2CN(c3nc(-c4ccncc4)cc(=O)n3C)CCO2)c1
InChIInChI=1S/C21H22N4O3/c1-24-20(26)13-18(15-6-8-22-9-7-15)23-21(24)25-10-11-28-19(14-25)16-4-3-5-17(12-16)27-2/h3-9,12-13,19H,10-11,14H2,1-2H3
InChIKeyWYVWRIBBJCVZBU-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.43
Rot. Bonds4

About 2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 10156508) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID10156508
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCOc1cccc(C2CN(c3nc(-c4ccncc4)cc(=O)n3C)CCO2)c1
InChIInChI=1S/C21H22N4O3/c1-24-20(26)13-18(15-6-8-22-9-7-15)23-21(24)25-10-11-28-19(14-25)16-4-3-5-17(12-16)27-2/h3-9,12-13,19H,10-11,14H2,1-2H3
InChIKeyWYVWRIBBJCVZBU-UHFFFAOYSA-N
XLogP2.43
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one
CID 59794151
2-[2-[4-(3-hydroxyazetidin-1-yl)phenyl]morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11640345
2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59794037
3-methyl-6-pyridin-4-yl-2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one
CID 10224712
3-methyl-2-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,4-oxazepan-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 67282692
1-[4-[4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]-3-pyridin-3-ylthiourea
CID 76594500
3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 142238593
3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride
CID 162307517
3-[4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]benzonitrile
CID 10177405
3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 142238628
2-(9-methoxy-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-4-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 66771539
3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59794055

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 10156508) is 2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is COc1cccc(C2CN(c3nc(-c4ccncc4)cc(=O)n3C)CCO2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is WYVWRIBBJCVZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-24-20(26)13-18(15-6-8-22-9-7-15)23-21(24)25-10-11-28-19(14-25)16-4-3-5-17(12-16)27-2/h3-9,12-13,19H,10-11,14H2,1-2H3.
What are the key properties of 2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 378.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 10156508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).