1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine

C21H28FN5O — CID 166194806

IUPAC1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine
SMILESCN(Cc1cnc(N2CCOCC2)nc1)C1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C21H28FN5O/c1-25(16-17-14-23-21(24-15-17)27-9-11-28-12-10-27)19-5-7-26(8-6-19)20-4-2-3-18(22)13-20/h2-4,13-15,19H,5-12,16H2,1H3
InChIKeyXQBTYAHTUCZIJA-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.55
Rot. Bonds5

About 1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine

1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine (PubChem CID 166194806) has the molecular formula C21H28FN5O and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine
PubChem CID166194806
Molecular FormulaC21H28FN5O
Molecular Weight385.49 g/mol
Exact Mass385.23
IUPAC Name1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine
SMILESCN(Cc1cnc(N2CCOCC2)nc1)C1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C21H28FN5O/c1-25(16-17-14-23-21(24-15-17)27-9-11-28-12-10-27)19-5-7-26(8-6-19)20-4-2-3-18(22)13-20/h2-4,13-15,19H,5-12,16H2,1H3
InChIKeyXQBTYAHTUCZIJA-UHFFFAOYSA-N
XLogP2.55
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)benzylamine
CID 660212
4-(4-Fluorophenyl)-5-(2-morpholinoethyl)-2-pyrimidinamine
CID 3578049
N2-(3,5-dimorpholinophenyl)-N4-methyl-N4-phenylpyrimidine-2,4-diamine
CID 25014762
N2-(3,5-dimorpholinophenyl)-N4-methyl-N4-m-tolylpyrimidine-2,4-diamine
CID 25014846
N-(4-morpholinophenyl)-4-phenylpyrimidin-2-amine
CID 46882359
N2-(3,5-dimorpholinophenyl)-N4-methyl-N4-o-tolylpyrimidine-2,4-diamine
CID 54586838
4-[3-[2-[4-(4-Methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
CID 54760109
4-[2-[2-[4-(4-Methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine
CID 54760285
4-[3-[2-[4-[4-(2-Methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
CID 54760671
4-[4-[2-[4-(4-Methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]butyl]morpholine
CID 54761040
5-(2-Morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 59244679

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine (CID 166194806) is 1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine is CN(Cc1cnc(N2CCOCC2)nc1)C1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine?
The InChIKey is XQBTYAHTUCZIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5O/c1-25(16-17-14-23-21(24-15-17)27-9-11-28-12-10-27)19-5-7-26(8-6-19)20-4-2-3-18(22)13-20/h2-4,13-15,19H,5-12,16H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine?
1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine has a molecular weight of 385.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 166194806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).