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

C10H11F3N4O2 — CID 155168149

IUPAC[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2cnc(C(F)(F)F)nc2)C1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)8-14-3-7(4-15-8)17-2-1-6(5-17)16-9(18)19/h3-4,6,16H,1-2,5H2,(H,18,19)
InChIKeyDNHPQTJZMYFYEG-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.34
Rot. Bonds2

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

[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid (PubChem CID 155168149) 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]carbamic acid.

Molecular Properties

Compound Name[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid
PubChem CID155168149
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2cnc(C(F)(F)F)nc2)C1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)8-14-3-7(4-15-8)17-2-1-6(5-17)16-9(18)19/h3-4,6,16H,1-2,5H2,(H,18,19)
InChIKeyDNHPQTJZMYFYEG-UHFFFAOYSA-N
XLogP1.34
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid (CID 155168149) is [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid is O=C(O)NC1CCN(c2cnc(C(F)(F)F)nc2)C1.
What is the InChIKey of [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid?
The InChIKey is DNHPQTJZMYFYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)8-14-3-7(4-15-8)17-2-1-6(5-17)16-9(18)19/h3-4,6,16H,1-2,5H2,(H,18,19).
What are the key properties of [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid?
[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid has a molecular weight of 276.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 155168149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).