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

C24H33FN6O3 — CID 118900556

IUPAC(4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-fluorophenyl]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)cc1F)N1CCC(N(C)C)CC1
InChIInChI=1S/C24H33FN6O3/c1-15(27-23-26-10-7-21(28-23)31-22(32)14-34-24(31)33)17-5-6-19(20(25)13-17)16(2)30-11-8-18(9-12-30)29(3)4/h5-7,10,13,15-16,18,22,32H,8-9,11-12,14H2,1-4H3,(H,26,27,28)/t15-,16?,22-/m0/s1
InChIKeyFJNIWCVSGQNXKH-HNOVQZRZSA-N
MW472.57 g/mol
LogP3.15
Rot. Bonds7

About (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-fluorophenyl]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]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one (PubChem CID 118900556) has the molecular formula C24H33FN6O3 and a molecular weight of 472.57 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-fluorophenyl]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]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one
PubChem CID118900556
Molecular FormulaC24H33FN6O3
Molecular Weight472.57 g/mol
Exact Mass472.26
IUPAC Name(4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-fluorophenyl]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)cc1F)N1CCC(N(C)C)CC1
InChIInChI=1S/C24H33FN6O3/c1-15(27-23-26-10-7-21(28-23)31-22(32)14-34-24(31)33)17-5-6-19(20(25)13-17)16(2)30-11-8-18(9-12-30)29(3)4/h5-7,10,13,15-16,18,22,32H,8-9,11-12,14H2,1-4H3,(H,26,27,28)/t15-,16?,22-/m0/s1
InChIKeyFJNIWCVSGQNXKH-HNOVQZRZSA-N
XLogP3.15
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

(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
3-[2-[[(1S)-1-(2-fluoro-4-propan-2-ylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479054
2-fluoro-N-(4-hydroxycyclohexyl)-4-[1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide
CID 78104823
2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
CID 89489947
(4S)-3-[2-[[(1S)-1-[3-fluoro-4-[2-(4-hydroxycyclohexyl)acetyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 160979937
(4S)-3-[2-[[(1S)-1-(3-chloro-4-propan-2-ylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 164929002
3-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90343304
(4S)-3-[2-[1-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479370
(4S)-3-[2-[[(1S)-1-[4-(dimethylamino)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489854
3-[2-[1-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 123270812
(4S)-3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730222
(4S)-3-[2-[[(1S)-1-[4-(hydroxymethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730160

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-fluorophenyl]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]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one (CID 118900556) is (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-fluorophenyl]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]-3-fluorophenyl]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]-3-fluorophenyl]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)cc1F)N1CCC(N(C)C)CC1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one?
The InChIKey is FJNIWCVSGQNXKH-HNOVQZRZSA-N. The full InChI is InChI=1S/C24H33FN6O3/c1-15(27-23-26-10-7-21(28-23)31-22(32)14-34-24(31)33)17-5-6-19(20(25)13-17)16(2)30-11-8-18(9-12-30)29(3)4/h5-7,10,13,15-16,18,22,32H,8-9,11-12,14H2,1-4H3,(H,26,27,28)/t15-,16?,22-/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-fluorophenyl]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]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one has a molecular weight of 472.57 g/mol, XLogP of 3.15, 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]-3-fluorophenyl]ethyl]amino]pyrimidin-4-yl]-4-hydroxy-1,3-oxazolidin-2-one is sourced from PubChem (CID 118900556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).