6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one

C25H26FN5O4 — CID 11583813

IUPAC6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one
SMILESCn1c(N2CCO[C@@H](c3ccc(C(=O)N4CCOCC4)cc3)C2)nc(-c2ccncc2F)cc1=O
InChIInChI=1S/C25H26FN5O4/c1-29-23(32)14-21(19-6-7-27-15-20(19)26)28-25(29)31-10-13-35-22(16-31)17-2-4-18(5-3-17)24(33)30-8-11-34-12-9-30/h2-7,14-15,22H,8-13,16H2,1H3/t22-/m1/s1
InChIKeyMQRSMSTYRLRBBU-JOCHJYFZSA-N
MW479.51 g/mol
LogP2.03
Rot. Bonds4

About 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one

6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one (PubChem CID 11583813) has the molecular formula C25H26FN5O4 and a molecular weight of 479.51 g/mol. Its IUPAC name is 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one
PubChem CID11583813
Molecular FormulaC25H26FN5O4
Molecular Weight479.51 g/mol
Exact Mass479.20
IUPAC Name6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one
SMILESCn1c(N2CCO[C@@H](c3ccc(C(=O)N4CCOCC4)cc3)C2)nc(-c2ccncc2F)cc1=O
InChIInChI=1S/C25H26FN5O4/c1-29-23(32)14-21(19-6-7-27-15-20(19)26)28-25(29)31-10-13-35-22(16-31)17-2-4-18(5-3-17)24(33)30-8-11-34-12-9-30/h2-7,14-15,22H,8-13,16H2,1H3/t22-/m1/s1
InChIKeyMQRSMSTYRLRBBU-JOCHJYFZSA-N
XLogP2.03
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(4-Fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 10133485
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11176034
6-(2-chloro-4-pyridinyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-methylpyrimidin-4-one
CID 57877690
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 57877765
6-(3-chloro-4-pyridinyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-methylpyrimidin-4-one
CID 57877786
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59793923
3-Methyl-2-(2-phenylmorpholin-4-yl)-6-pyridin-4-ylpyrimidin-4-one
CID 60001863
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-methyl-6-(3-methyl-4-pyridinyl)pyrimidin-4-one
CID 57877715
2-((2S)-2-(4-aminophenyl)morpholin-4-yl)-6-(3-fluoropyridin-4-yl)-3-methyl-3H-pyrimidin-4-one
CID 11494661
methyl (4-((2S)-4-(6-(3-fluoropyridin-4-yl)-3-methyl-4-oxo-3H-pyrimidin-2-yl)morpholin-2-yl)phenyl)carbamate
CID 11503063
N-[3-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide
CID 11531915
N'-(4-((2S)-4-(6-(3-fluoropyridin-4-yl)-3-methyl-4-oxo-3H-pyrimidin-2-yl)morpholin-2-yl)phenyl)-N,N-dimethylurea
CID 11583282

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one?
The IUPAC name of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one (CID 11583813) is 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one.
What is the SMILES notation for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one?
The canonical SMILES for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one is Cn1c(N2CCO[C@@H](c3ccc(C(=O)N4CCOCC4)cc3)C2)nc(-c2ccncc2F)cc1=O.
What is the InChIKey of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one?
The InChIKey is MQRSMSTYRLRBBU-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H26FN5O4/c1-29-23(32)14-21(19-6-7-27-15-20(19)26)28-25(29)31-10-13-35-22(16-31)17-2-4-18(5-3-17)24(33)30-8-11-34-12-9-30/h2-7,14-15,22H,8-13,16H2,1H3/t22-/m1/s1.
What are the key properties of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one?
6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one has a molecular weight of 479.51 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[4-(morpholine-4-carbonyl)phenyl]morpholin-4-yl]pyrimidin-4-one is sourced from PubChem (CID 11583813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).