(4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C21H28N4O2 — CID 89489743

IUPAC(4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1)C(C)(C)C
InChIInChI=1S/C21H28N4O2/c1-14(20(2,3)4)23-18-22-13-12-16(24-18)25-17(15-10-8-7-9-11-15)21(5,6)27-19(25)26/h7-14,17H,1-6H3,(H,22,23,24)/t14-,17-/m0/s1
InChIKeyVSKCTHIRGFWUKY-YOEHRIQHSA-N
MW368.48 g/mol
LogP4.80
Rot. Bonds4

About (4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 89489743) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID89489743
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1)C(C)(C)C
InChIInChI=1S/C21H28N4O2/c1-14(20(2,3)4)23-18-22-13-12-16(24-18)25-17(15-10-8-7-9-11-15)21(5,6)27-19(25)26/h7-14,17H,1-6H3,(H,22,23,24)/t14-,17-/m0/s1
InChIKeyVSKCTHIRGFWUKY-YOEHRIQHSA-N
XLogP4.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-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-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 89489743) is (4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1)C(C)(C)C.
What is the InChIKey of (4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is VSKCTHIRGFWUKY-YOEHRIQHSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14(20(2,3)4)23-18-22-13-12-16(24-18)25-17(15-10-8-7-9-11-15)21(5,6)27-19(25)26/h7-14,17H,1-6H3,(H,22,23,24)/t14-,17-/m0/s1.
What are the key properties of (4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 368.48 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).