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

C18H19FN4O2 — CID 90422602

IUPAC(4S)-4-cyclopropyl-3-[6-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nc(F)cc(N2C(=O)OC[C@@H]2C2CC2)n1)c1ccccc1
InChIInChI=1S/C18H19FN4O2/c1-11(12-5-3-2-4-6-12)20-17-21-15(19)9-16(22-17)23-14(13-7-8-13)10-25-18(23)24/h2-6,9,11,13-14H,7-8,10H2,1H3,(H,20,21,22)/t11-,14+/m0/s1
InChIKeyHJMIFTNZMNOUFW-SMDDNHRTSA-N
MW342.37 g/mol
LogP3.52
Rot. Bonds5

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

(4S)-4-cyclopropyl-3-[6-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90422602) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is (4S)-4-cyclopropyl-3-[6-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-cyclopropyl-3-[6-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID90422602
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name(4S)-4-cyclopropyl-3-[6-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nc(F)cc(N2C(=O)OC[C@@H]2C2CC2)n1)c1ccccc1
InChIInChI=1S/C18H19FN4O2/c1-11(12-5-3-2-4-6-12)20-17-21-15(19)9-16(22-17)23-14(13-7-8-13)10-25-18(23)24/h2-6,9,11,13-14H,7-8,10H2,1H3,(H,20,21,22)/t11-,14+/m0/s1
InChIKeyHJMIFTNZMNOUFW-SMDDNHRTSA-N
XLogP3.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90343304
4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154974845
3-[6-chloro-2-[[(1S)-1-[1-(4-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 130384663
(4S)-3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 118894440
(4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 118873898
3-[2-[[(1R)-1-[1-(4-chlorophenyl)triazol-4-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 130384671
(4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one
CID 89489740
(4S)-3-[6-chloro-2-[[(1S)-1-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 118900519
(4S)-4-cyclopropyl-3-[2-[[(1S)-1-[4-[[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90422750
3-[6-fluoro-2-[[(1S)-1-[4-[(4-prop-2-enoylpiperazin-1-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139507718
(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-[[(1S)-1-(4-benzoylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479420

Frequently Asked Questions

What is the IUPAC name of (4S)-4-cyclopropyl-3-[6-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-cyclopropyl-3-[6-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90422602) is (4S)-4-cyclopropyl-3-[6-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-cyclopropyl-3-[6-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-cyclopropyl-3-[6-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@H](Nc1nc(F)cc(N2C(=O)OC[C@@H]2C2CC2)n1)c1ccccc1.
What is the InChIKey of (4S)-4-cyclopropyl-3-[6-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is HJMIFTNZMNOUFW-SMDDNHRTSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-11(12-5-3-2-4-6-12)20-17-21-15(19)9-16(22-17)23-14(13-7-8-13)10-25-18(23)24/h2-6,9,11,13-14H,7-8,10H2,1H3,(H,20,21,22)/t11-,14+/m0/s1.
What are the key properties of (4S)-4-cyclopropyl-3-[6-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-4-cyclopropyl-3-[6-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 342.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclopropyl-3-[6-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90422602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).