(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one

C19H24N4O3 — CID 130285128

IUPAC(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@H](C)Nc2nccc(N3C(=O)OC(C)(C)[C@@H]3C)n2)c1
InChIInChI=1S/C19H24N4O3/c1-12(14-7-6-8-15(11-14)25-5)21-17-20-10-9-16(22-17)23-13(2)19(3,4)26-18(23)24/h6-13H,1-5H3,(H,20,21,22)/t12-,13-/m0/s1
InChIKeyWGUFSFZXVMCEFC-STQMWFEESA-N
MW356.43 g/mol
LogP3.78
Rot. Bonds5

About (4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one

(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one (PubChem CID 130285128) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one
PubChem CID130285128
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@H](C)Nc2nccc(N3C(=O)OC(C)(C)[C@@H]3C)n2)c1
InChIInChI=1S/C19H24N4O3/c1-12(14-7-6-8-15(11-14)25-5)21-17-20-10-9-16(22-17)23-13(2)19(3,4)26-18(23)24/h6-13H,1-5H3,(H,20,21,22)/t12-,13-/m0/s1
InChIKeyWGUFSFZXVMCEFC-STQMWFEESA-N
XLogP3.78
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-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

Related Compounds

(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489738
(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 89490002
3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 130285227
4-[3-(4-methoxyphenyl)propyl]-5,5-dimethyl-3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285688
(4S)-5,5-dimethyl-4-phenyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89490003
(4S)-3-[2-[[(1S)-1-(3-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90349525
3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 123897635
3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130274237
(4S,5R)-5-methyl-4-phenyl-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89489715
3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 90349524
(4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90349526
(4S)-3-[2-[[(1S)-1-(3-cycloheptyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90349515

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one (CID 130285128) is (4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one is COc1cccc([C@H](C)Nc2nccc(N3C(=O)OC(C)(C)[C@@H]3C)n2)c1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The InChIKey is WGUFSFZXVMCEFC-STQMWFEESA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(14-7-6-8-15(11-14)25-5)21-17-20-10-9-16(22-17)23-13(2)19(3,4)26-18(23)24/h6-13H,1-5H3,(H,20,21,22)/t12-,13-/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one has a molecular weight of 356.43 g/mol, XLogP of 3.78, 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-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130285128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).