(4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C19H24N4O2 — CID 89490074

IUPAC(4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OC[C@@H]2C(C)C)nc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C19H24N4O2/c1-12(2)16-11-25-19(24)23(16)17-10-13(3)20-18(22-17)21-14(4)15-8-6-5-7-9-15/h5-10,12,14,16H,11H2,1-4H3,(H,20,21,22)/t14-,16+/m0/s1
InChIKeyYURLMTCLTRJEOO-GOEBONIOSA-N
MW340.43 g/mol
LogP3.94
Rot. Bonds5

About (4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89490074) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89490074
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OC[C@@H]2C(C)C)nc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C19H24N4O2/c1-12(2)16-11-25-19(24)23(16)17-10-13(3)20-18(22-17)21-14(4)15-8-6-5-7-9-15/h5-10,12,14,16H,11H2,1-4H3,(H,20,21,22)/t14-,16+/m0/s1
InChIKeyYURLMTCLTRJEOO-GOEBONIOSA-N
XLogP3.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89490074) is (4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1cc(N2C(=O)OC[C@@H]2C(C)C)nc(N[C@@H](C)c2ccccc2)n1.
What is the InChIKey of (4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YURLMTCLTRJEOO-GOEBONIOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)16-11-25-19(24)23(16)17-10-13(3)20-18(22-17)21-14(4)15-8-6-5-7-9-15/h5-10,12,14,16H,11H2,1-4H3,(H,20,21,22)/t14-,16+/m0/s1.
What are the key properties of (4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 340.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[6-methyl-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89490074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).