(4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one

C21H21Cl2N5O3S — CID 86269626

IUPAC(4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one
SMILESCO[C@H](C)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnc(-c3ccc(Cl)cc3)s2)n1
InChIInChI=1S/C21H21Cl2N5O3S/c1-11(16-9-24-19(32-16)13-4-6-14(22)7-5-13)25-20-26-17(23)8-18(27-20)28-15(12(2)30-3)10-31-21(28)29/h4-9,11-12,15H,10H2,1-3H3,(H,25,26,27)/t11-,12+,15+/m0/s1
InChIKeyIQBNFHYCKUJXMY-YWPYICTPSA-N
MW494.40 g/mol
LogP5.44
Rot. Bonds7

About (4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one

(4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one (PubChem CID 86269626) has the molecular formula C21H21Cl2N5O3S and a molecular weight of 494.40 g/mol. Its IUPAC name is (4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one
PubChem CID86269626
Molecular FormulaC21H21Cl2N5O3S
Molecular Weight494.40 g/mol
Exact Mass493.07
IUPAC Name(4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one
SMILESCO[C@H](C)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnc(-c3ccc(Cl)cc3)s2)n1
InChIInChI=1S/C21H21Cl2N5O3S/c1-11(16-9-24-19(32-16)13-4-6-14(22)7-5-13)25-20-26-17(23)8-18(27-20)28-15(12(2)30-3)10-31-21(28)29/h4-9,11-12,15H,10H2,1-3H3,(H,25,26,27)/t11-,12+,15+/m0/s1
InChIKeyIQBNFHYCKUJXMY-YWPYICTPSA-N
XLogP5.44
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.40
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one (CID 86269626) is (4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one is CO[C@H](C)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnc(-c3ccc(Cl)cc3)s2)n1.
What is the InChIKey of (4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one?
The InChIKey is IQBNFHYCKUJXMY-YWPYICTPSA-N. The full InChI is InChI=1S/C21H21Cl2N5O3S/c1-11(16-9-24-19(32-16)13-4-6-14(22)7-5-13)25-20-26-17(23)8-18(27-20)28-15(12(2)30-3)10-31-21(28)29/h4-9,11-12,15H,10H2,1-3H3,(H,25,26,27)/t11-,12+,15+/m0/s1.
What are the key properties of (4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one?
(4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 494.40 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[6-chloro-2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-methoxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86269626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).