[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate

C10H11F3N4O2 — CID 146303367

IUPAC[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate
SMILESNC(=O)OC1CCN(c2cnc(C(F)(F)F)nc2)C1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)8-15-3-6(4-16-8)17-2-1-7(5-17)19-9(14)18/h3-4,7H,1-2,5H2,(H2,14,18)
InChIKeyLGEDYEYEDMJFLZ-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.17
Rot. Bonds2

About [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate

[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate (PubChem CID 146303367) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate
PubChem CID146303367
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate
SMILESNC(=O)OC1CCN(c2cnc(C(F)(F)F)nc2)C1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)8-15-3-6(4-16-8)17-2-1-7(5-17)19-9(14)18/h3-4,7H,1-2,5H2,(H2,14,18)
InChIKeyLGEDYEYEDMJFLZ-UHFFFAOYSA-N
XLogP1.17
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidin-5-yl-oxazolidine-2-one
CID 155817822
(3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 164629545
tert-Butyl (2-(trifluoromethyl)pyrimidin-5-yl)carbamate
CID 123766639
(3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate
CID 145443530
[(3R)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate
CID 146302764
[1-[5-(Trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate
CID 146302767
[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate
CID 146303366
tert-butyl N-[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamate
CID 153395237
[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid
CID 155168148
[1-[2-(Trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid
CID 155168149
propan-2-yl N-(3-amino-4,4,4-trifluoro-1-pyrimidin-5-yliminobut-2-en-2-yl)carbamate
CID 173885090
[(3S)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate
CID 175528555

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate?
The IUPAC name of [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate (CID 146303367) is [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate.
What is the SMILES notation for [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate?
The canonical SMILES for [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate is NC(=O)OC1CCN(c2cnc(C(F)(F)F)nc2)C1.
What is the InChIKey of [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate?
The InChIKey is LGEDYEYEDMJFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)8-15-3-6(4-16-8)17-2-1-7(5-17)19-9(14)18/h3-4,7H,1-2,5H2,(H2,14,18).
What are the key properties of [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate?
[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate has a molecular weight of 276.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl] carbamate is sourced from PubChem (CID 146303367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).