[(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate

C13H19FN4O2 — CID 171660318

IUPAC[(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1CC[C@@H](c2nc(N)ncc2F)C1
InChIInChI=1S/C13H19FN4O2/c1-7(2)17-13(19)20-9-4-3-8(5-9)11-10(14)6-16-12(15)18-11/h6-9H,3-5H2,1-2H3,(H,17,19)(H2,15,16,18)/t8-,9?/m1/s1
InChIKeyKGDUEBDNKGCUJJ-VEDVMXKPSA-N
MW282.32 g/mol
LogP1.97
Rot. Bonds3

About [(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate

[(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 171660318) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is [(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate
PubChem CID171660318
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name[(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1CC[C@@H](c2nc(N)ncc2F)C1
InChIInChI=1S/C13H19FN4O2/c1-7(2)17-13(19)20-9-4-3-8(5-9)11-10(14)6-16-12(15)18-11/h6-9H,3-5H2,1-2H3,(H,17,19)(H2,15,16,18)/t8-,9?/m1/s1
InChIKeyKGDUEBDNKGCUJJ-VEDVMXKPSA-N
XLogP1.97
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyl-5-fluoropyrimidin-2-amine
CID 171659947
(3-aminocyclopentyl) N-propan-2-ylcarbamate
CID 79465230
[3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076305
[(1S,3R)-3-[3-[(6-fluoro-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176714713
[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate
CID 170075167
[(1R,3S)-3-[3-[(6-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623855
[(1R,3S)-3-[2-(2,6-difluoro-4-sulfamoylanilino)pyrimidin-5-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate
CID 171087297
[3-[3-(4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176874944
[3-[3-[(1-methylpyrazolo[5,4-c]pyridin-7-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293665
[(1S,3R)-3-[3-[(5-dimethylphosphoryl-2-pyridinyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076434
[(1R,3S)-3-[1-tert-butyl-5-(oxane-4-carbonylamino)pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170072754
[(1R,3S)-3-[1-tert-butyl-5-[3-fluoro-4-(methylsulfonimidoyl)anilino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076168

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate (CID 171660318) is [(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)OC1CC[C@@H](c2nc(N)ncc2F)C1.
What is the InChIKey of [(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is KGDUEBDNKGCUJJ-VEDVMXKPSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-7(2)17-13(19)20-9-4-3-8(5-9)11-10(14)6-16-12(15)18-11/h6-9H,3-5H2,1-2H3,(H,17,19)(H2,15,16,18)/t8-,9?/m1/s1.
What are the key properties of [(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate?
[(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 282.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-amino-5-fluoropyrimidin-4-yl)cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 171660318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).