(2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone

C22H23FN4O2 — CID 131660689

IUPAC(2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone
SMILESCC1CN(C(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)CC(C)O1
InChIInChI=1S/C22H23FN4O2/c1-14-11-27(12-15(2)29-14)22(28)20-8-17(13-26(20)3)18-9-24-21(25-10-18)16-5-4-6-19(23)7-16/h4-10,13-15H,11-12H2,1-3H3
InChIKeyXHLXYNLONBWICB-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.54
Rot. Bonds3

About (2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone (PubChem CID 131660689) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone
PubChem CID131660689
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone
SMILESCC1CN(C(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)CC(C)O1
InChIInChI=1S/C22H23FN4O2/c1-14-11-27(12-15(2)29-14)22(28)20-8-17(13-26(20)3)18-9-24-21(25-10-18)16-5-4-6-19(23)7-16/h4-10,13-15H,11-12H2,1-3H3
InChIKeyXHLXYNLONBWICB-UHFFFAOYSA-N
XLogP3.54
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 134075406
4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide
CID 97443166
1-methyl-4-(2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid
CID 121229531
[1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 134078522
(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 42758584
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]methanone
CID 7283540
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 35294940
(2,6-dimethylmorpholin-4-yl)-(1-methylpyrazol-4-yl)methanone
CID 45147620
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 86639371

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone (CID 131660689) is (2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone is CC1CN(C(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone?
The InChIKey is XHLXYNLONBWICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14-11-27(12-15(2)29-14)22(28)20-8-17(13-26(20)3)18-9-24-21(25-10-18)16-5-4-6-19(23)7-16/h4-10,13-15H,11-12H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone has a molecular weight of 394.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone is sourced from PubChem (CID 131660689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).