(4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one

C17H18Cl2FN5O3 — CID 134274480

IUPAC(4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one
SMILESCC[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ncc(Cl)cc2Cl)ncc1F
InChIInChI=1S/C17H18Cl2FN5O3/c1-3-13(26)12-7-28-17(27)25(12)15-11(20)6-22-16(24-15)23-8(2)14-10(19)4-9(18)5-21-14/h4-6,8,12-13,26H,3,7H2,1-2H3,(H,22,23,24)/t8-,12+,13+/m0/s1
InChIKeyCIPZKQRIHWNQRX-ZEGGKSINSA-N
MW430.27 g/mol
LogP3.59
Rot. Bonds6

About (4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one (PubChem CID 134274480) has the molecular formula C17H18Cl2FN5O3 and a molecular weight of 430.27 g/mol. Its IUPAC name is (4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one
PubChem CID134274480
Molecular FormulaC17H18Cl2FN5O3
Molecular Weight430.27 g/mol
Exact Mass429.08
IUPAC Name(4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one
SMILESCC[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ncc(Cl)cc2Cl)ncc1F
InChIInChI=1S/C17H18Cl2FN5O3/c1-3-13(26)12-7-28-17(27)25(12)15-11(20)6-22-16(24-15)23-8(2)14-10(19)4-9(18)5-21-14/h4-6,8,12-13,26H,3,7H2,1-2H3,(H,22,23,24)/t8-,12+,13+/m0/s1
InChIKeyCIPZKQRIHWNQRX-ZEGGKSINSA-N
XLogP3.59
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.27
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-3-[2-[[(1S)-1-(4-bromo-3-fluorophenyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one
CID 134274481
(4R)-3-[2-[[(1R)-1-[5-(3,4-dichlorophenyl)pyrimidin-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90416752
3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90416342
3-[2-[[(1S)-1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90415890
(4R)-3-[2-[[(1S)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90454335
3-[2-[[(1S)-1-[1-(3-chloro-4-fluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
CID 90415024
3-[2-[[(1S)-1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90414278
(4R)-4-[(1S)-1-fluoroethyl]-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90452104
(4S)-3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 71542188
4-[(1S)-1-fluoroethyl]-3-[5-fluoro-2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 166708338
(4R)-4-[(1S)-1-fluoroethyl]-3-[5-fluoro-2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90414618
N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide
CID 89479107

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one (CID 134274480) is (4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one is CC[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ncc(Cl)cc2Cl)ncc1F.
What is the InChIKey of (4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one?
The InChIKey is CIPZKQRIHWNQRX-ZEGGKSINSA-N. The full InChI is InChI=1S/C17H18Cl2FN5O3/c1-3-13(26)12-7-28-17(27)25(12)15-11(20)6-22-16(24-15)23-8(2)14-10(19)4-9(18)5-21-14/h4-6,8,12-13,26H,3,7H2,1-2H3,(H,22,23,24)/t8-,12+,13+/m0/s1.
What are the key properties of (4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one?
(4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one has a molecular weight of 430.27 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134274480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).