(4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one

C24H34N6O3 — CID 118900485

IUPAC(4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one
SMILESCC(c1ccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3O)n2)cc1)N1CCC(N(C)C)CC1
InChIInChI=1S/C24H34N6O3/c1-16(26-23-25-12-9-21(27-23)30-22(31)15-33-24(30)32)18-5-7-19(8-6-18)17(2)29-13-10-20(11-14-29)28(3)4/h5-9,12,16-17,20,22,31H,10-11,13-15H2,1-4H3,(H,25,26,27)/t16-,17?,22-/m0/s1
InChIKeyMGXNHWAJZQAXJX-ZHDKVYCTSA-N
MW454.58 g/mol
LogP3.01
Rot. Bonds7

About (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one

(4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one (PubChem CID 118900485) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one
PubChem CID118900485
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC Name(4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one
SMILESCC(c1ccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3O)n2)cc1)N1CCC(N(C)C)CC1
InChIInChI=1S/C24H34N6O3/c1-16(26-23-25-12-9-21(27-23)30-22(31)15-33-24(30)32)18-5-7-19(8-6-18)17(2)29-13-10-20(11-14-29)28(3)4/h5-9,12,16-17,20,22,31H,10-11,13-15H2,1-4H3,(H,25,26,27)/t16-,17?,22-/m0/s1
InChIKeyMGXNHWAJZQAXJX-ZHDKVYCTSA-N
XLogP3.01
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one (CID 118900485) is (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one is CC(c1ccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3O)n2)cc1)N1CCC(N(C)C)CC1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one?
The InChIKey is MGXNHWAJZQAXJX-ZHDKVYCTSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-16(26-23-25-12-9-21(27-23)30-22(31)15-33-24(30)32)18-5-7-19(8-6-18)17(2)29-13-10-20(11-14-29)28(3)4/h5-9,12,16-17,20,22,31H,10-11,13-15H2,1-4H3,(H,25,26,27)/t16-,17?,22-/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one has a molecular weight of 454.58 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one is sourced from PubChem (CID 118900485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).