[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone

C25H32N6O3 — CID 24769547

IUPAC[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone
SMILESO=C([C@@H]1CNCCN1)N1CC=C(c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)CC1
InChIInChI=1S/C25H32N6O3/c32-17-18-2-1-3-20(14-18)24-28-21(15-23(29-24)30-10-12-34-13-11-30)19-4-8-31(9-5-19)25(33)22-16-26-6-7-27-22/h1-4,14-15,22,26-27,32H,5-13,16-17H2/t22-/m0/s1
InChIKeyLCUYXMOFJHNWEE-QFIPXVFZSA-N
MW464.57 g/mol
LogP0.65
Rot. Bonds5

About [4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone

[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone (PubChem CID 24769547) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is [4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone.

Molecular Properties

Compound Name[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone
PubChem CID24769547
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone
SMILESO=C([C@@H]1CNCCN1)N1CC=C(c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)CC1
InChIInChI=1S/C25H32N6O3/c32-17-18-2-1-3-20(14-18)24-28-21(15-23(29-24)30-10-12-34-13-11-30)19-4-8-31(9-5-19)25(33)22-16-26-6-7-27-22/h1-4,14-15,22,26-27,32H,5-13,16-17H2/t22-/m0/s1
InChIKeyLCUYXMOFJHNWEE-QFIPXVFZSA-N
XLogP0.65
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone with MolForge

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Related Compounds

[3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol
CID 69247298
N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide
CID 69247920
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61163331
[3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol
CID 68637908
[3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol
CID 174523651
N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide
CID 11532765
4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134806764
4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine
CID 5091017
[3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol
CID 51352898
[3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol
CID 174537284
[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 118243130
[3-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]phenyl]methanol
CID 59688537

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone?
The IUPAC name of [4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone (CID 24769547) is [4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone.
What is the SMILES notation for [4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone?
The canonical SMILES for [4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone is O=C([C@@H]1CNCCN1)N1CC=C(c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)CC1.
What is the InChIKey of [4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone?
The InChIKey is LCUYXMOFJHNWEE-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H32N6O3/c32-17-18-2-1-3-20(14-18)24-28-21(15-23(29-24)30-10-12-34-13-11-30)19-4-8-31(9-5-19)25(33)22-16-26-6-7-27-22/h1-4,14-15,22,26-27,32H,5-13,16-17H2/t22-/m0/s1.
What are the key properties of [4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone?
[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone has a molecular weight of 464.57 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone is sourced from PubChem (CID 24769547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).