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

C10H11F3N4O2 — CID 146302767

IUPAC[1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate
SMILESNC(=O)OC1CCN(c2ncc(C(F)(F)F)cn2)C1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)6-3-15-9(16-4-6)17-2-1-7(5-17)19-8(14)18/h3-4,7H,1-2,5H2,(H2,14,18)
InChIKeyBWVAYZYUOQASOL-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.17
Rot. Bonds2

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

[1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate (PubChem CID 146302767) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is [1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate
PubChem CID146302767
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name[1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate
SMILESNC(=O)OC1CCN(c2ncc(C(F)(F)F)cn2)C1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)6-3-15-9(16-4-6)17-2-1-7(5-17)19-8(14)18/h3-4,7H,1-2,5H2,(H2,14,18)
InChIKeyBWVAYZYUOQASOL-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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Frequently Asked Questions

What is the IUPAC name of [1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate?
The IUPAC name of [1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate (CID 146302767) is [1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate.
What is the SMILES notation for [1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate?
The canonical SMILES for [1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate is NC(=O)OC1CCN(c2ncc(C(F)(F)F)cn2)C1.
What is the InChIKey of [1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate?
The InChIKey is BWVAYZYUOQASOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)6-3-15-9(16-4-6)17-2-1-7(5-17)19-8(14)18/h3-4,7H,1-2,5H2,(H2,14,18).
What are the key properties of [1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate?
[1-[5-(trifluoromethyl)pyrimidin-2-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-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl] carbamate is sourced from PubChem (CID 146302767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).