(4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one

C20H19N5O2 — CID 89489740

IUPAC(4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccncc2)n1)c1ccccc1
InChIInChI=1S/C20H19N5O2/c1-14(15-5-3-2-4-6-15)23-19-22-12-9-18(24-19)25-17(13-27-20(25)26)16-7-10-21-11-8-16/h2-12,14,17H,13H2,1H3,(H,22,23,24)/t14-,17+/m0/s1
InChIKeyKRPIYQNABUKSLC-WMLDXEAASA-N
MW361.41 g/mol
LogP3.74
Rot. Bonds5

About (4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one (PubChem CID 89489740) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one
PubChem CID89489740
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name(4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccncc2)n1)c1ccccc1
InChIInChI=1S/C20H19N5O2/c1-14(15-5-3-2-4-6-15)23-19-22-12-9-18(24-19)25-17(13-27-20(25)26)16-7-10-21-11-8-16/h2-12,14,17H,13H2,1H3,(H,22,23,24)/t14-,17+/m0/s1
InChIKeyKRPIYQNABUKSLC-WMLDXEAASA-N
XLogP3.74
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one (CID 89489740) is (4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccncc2)n1)c1ccccc1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one?
The InChIKey is KRPIYQNABUKSLC-WMLDXEAASA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(15-5-3-2-4-6-15)23-19-22-12-9-18(24-19)25-17(13-27-20(25)26)16-7-10-21-11-8-16/h2-12,14,17H,13H2,1H3,(H,22,23,24)/t14-,17+/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one has a molecular weight of 361.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).