(4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C26H34N6O2Sn — CID 155290609

About (4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 155290609) has the molecular formula C26H34N6O2Sn and a molecular weight of 581.31 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 155290609
• Molecular Formula: C26H34N6O2Sn
• Molecular Weight: 581.31 g/mol
• Exact Mass: 582.18
• IUPAC Name: (4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: Cc1cc(-c2cnc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)nc2)ccc1[Sn](C)(C)C
• InChI: InChI=1S/C23H25N6O2.3CH3.Sn/c1-14(2)19-13-31-23(30)29(19)20-8-9-24-22(28-20)27-16(4)21-25-11-18(12-26-21)17-7-5-6-15(3)10-17;;;;/h5,7-12,14,16,19H,13H2,1-4H3,(H,24,27,28);3*1H3;/t16-,19+;;;;/m0..../s1
• InChIKey: VSWYXIHZAUQLOV-QVCMYBPZSA-N
• XLogP: 4.94
• TPSA: 93.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.31
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 155290609) is (4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1cc(-c2cnc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)nc2)ccc1[Sn](C)(C)C.

What is the InChIKey of (4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is VSWYXIHZAUQLOV-QVCMYBPZSA-N. The full InChI is InChI=1S/C23H25N6O2.3CH3.Sn/c1-14(2)19-13-31-23(30)29(19)20-8-9-24-22(28-20)27-16(4)21-25-11-18(12-26-21)17-7-5-6-15(3)10-17;;;;/h5,7-12,14,16,19H,13H2,1-4H3,(H,24,27,28);3*1H3;/t16-,19+;;;;/m0..../s1.

What are the key properties of (4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

(4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 581.31 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[2-[[(1S)-1-[5-(3-methyl-4-trimethylstannylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155290609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).