(4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one

C24H30N6O2 — CID 118873898

IUPAC(4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2C2CC2)n1)c1ccc(CN2CC3C(N)C3C2)cc1
InChIInChI=1S/C24H30N6O2/c1-14(16-4-2-15(3-5-16)10-29-11-18-19(12-29)22(18)25)27-23-26-9-8-21(28-23)30-20(17-6-7-17)13-32-24(30)31/h2-5,8-9,14,17-20,22H,6-7,10-13,25H2,1H3,(H,26,27,28)/t14-,18?,19?,20+,22?/m0/s1
InChIKeyGZFILCDCAZIXSL-BCVHTKFASA-N
MW434.54 g/mol
LogP2.77
Rot. Bonds7

About (4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one

(4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one (PubChem CID 118873898) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
PubChem CID118873898
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name(4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2C2CC2)n1)c1ccc(CN2CC3C(N)C3C2)cc1
InChIInChI=1S/C24H30N6O2/c1-14(16-4-2-15(3-5-16)10-29-11-18-19(12-29)22(18)25)27-23-26-9-8-21(28-23)30-20(17-6-7-17)13-32-24(30)31/h2-5,8-9,14,17-20,22H,6-7,10-13,25H2,1H3,(H,26,27,28)/t14-,18?,19?,20+,22?/m0/s1
InChIKeyGZFILCDCAZIXSL-BCVHTKFASA-N
XLogP2.77
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-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-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one (CID 118873898) is (4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2C2CC2)n1)c1ccc(CN2CC3C(N)C3C2)cc1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one?
The InChIKey is GZFILCDCAZIXSL-BCVHTKFASA-N. The full InChI is InChI=1S/C24H30N6O2/c1-14(16-4-2-15(3-5-16)10-29-11-18-19(12-29)22(18)25)27-23-26-9-8-21(28-23)30-20(17-6-7-17)13-32-24(30)31/h2-5,8-9,14,17-20,22H,6-7,10-13,25H2,1H3,(H,26,27,28)/t14-,18?,19?,20+,22?/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one has a molecular weight of 434.54 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 118873898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).