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

C10H11F3N4O2 — CID 155168148

IUPAC[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(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)/t6-/m1/s1
InChIKeyDNHPQTJZMYFYEG-ZCFIWIBFSA-N
MW276.22 g/mol
LogP1.34
Rot. Bonds2

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

[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid (PubChem CID 155168148) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is [(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid
PubChem CID155168148
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(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)/t6-/m1/s1
InChIKeyDNHPQTJZMYFYEG-ZCFIWIBFSA-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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid (CID 155168148) is [(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CCN(c2cnc(C(F)(F)F)nc2)C1.
What is the InChIKey of [(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid?
The InChIKey is DNHPQTJZMYFYEG-ZCFIWIBFSA-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)/t6-/m1/s1.
What are the key properties of [(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid?
[(3R)-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 [(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 155168148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).