2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C25H21FN4O3 — CID 59794189

IUPAC2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCOC(C(=O)c3ccc(F)c4ccccc34)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C25H21FN4O3/c1-29-23(31)14-21(16-8-10-27-11-9-16)28-25(29)30-12-13-33-22(15-30)24(32)19-6-7-20(26)18-5-3-2-4-17(18)19/h2-11,14,22H,12-13,15H2,1H3
InChIKeyRPEKLFLYZLZANE-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.22
Rot. Bonds4

About 2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 59794189) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is 2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID59794189
Molecular FormulaC25H21FN4O3
Molecular Weight444.47 g/mol
Exact Mass444.16
IUPAC Name2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCOC(C(=O)c3ccc(F)c4ccccc34)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C25H21FN4O3/c1-29-23(31)14-21(16-8-10-27-11-9-16)28-25(29)30-12-13-33-22(15-30)24(32)19-6-7-20(26)18-5-3-2-4-17(18)19/h2-11,14,22H,12-13,15H2,1H3
InChIKeyRPEKLFLYZLZANE-UHFFFAOYSA-N
XLogP3.22
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59794055
3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59794202
2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59793951
3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59793989
N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide
CID 59793876
N-(4-fluorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide
CID 59794158
4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide
CID 59793903
2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59794037
2-[2-[4-(3-hydroxyazetidin-1-yl)phenyl]morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11640345
3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 142238593
2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 10156508
3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride
CID 162307517

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 59794189) is 2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(N2CCOC(C(=O)c3ccc(F)c4ccccc34)C2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is RPEKLFLYZLZANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3/c1-29-23(31)14-21(16-8-10-27-11-9-16)28-25(29)30-12-13-33-22(15-30)24(32)19-6-7-20(26)18-5-3-2-4-17(18)19/h2-11,14,22H,12-13,15H2,1H3.
What are the key properties of 2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 444.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 59794189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).