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

C6H4F3N3O2 — CID 71227563

IUPAC[2-(trifluoromethyl)pyrimidin-5-yl]carbamic acid
SMILESO=C(O)Nc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C6H4F3N3O2/c7-6(8,9)4-10-1-3(2-11-4)12-5(13)14/h1-2,12H,(H,13,14)
InChIKeyKBRBXPBJUIQXQM-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.59
Rot. Bonds1

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

[2-(trifluoromethyl)pyrimidin-5-yl]carbamic acid (PubChem CID 71227563) has the molecular formula C6H4F3N3O2 and a molecular weight of 207.11 g/mol. Its IUPAC name is [2-(trifluoromethyl)pyrimidin-5-yl]carbamic acid.

Molecular Properties

Compound Name[2-(trifluoromethyl)pyrimidin-5-yl]carbamic acid
PubChem CID71227563
Molecular FormulaC6H4F3N3O2
Molecular Weight207.11 g/mol
Exact Mass207.03
IUPAC Name[2-(trifluoromethyl)pyrimidin-5-yl]carbamic acid
SMILESO=C(O)Nc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C6H4F3N3O2/c7-6(8,9)4-10-1-3(2-11-4)12-5(13)14/h1-2,12H,(H,13,14)
InChIKeyKBRBXPBJUIQXQM-UHFFFAOYSA-N
XLogP1.59
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)pyrimidin-5-yl]carbamic acid?
The IUPAC name of [2-(trifluoromethyl)pyrimidin-5-yl]carbamic acid (CID 71227563) is [2-(trifluoromethyl)pyrimidin-5-yl]carbamic acid.
What is the SMILES notation for [2-(trifluoromethyl)pyrimidin-5-yl]carbamic acid?
The canonical SMILES for [2-(trifluoromethyl)pyrimidin-5-yl]carbamic acid is O=C(O)Nc1cnc(C(F)(F)F)nc1.
What is the InChIKey of [2-(trifluoromethyl)pyrimidin-5-yl]carbamic acid?
The InChIKey is KBRBXPBJUIQXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O2/c7-6(8,9)4-10-1-3(2-11-4)12-5(13)14/h1-2,12H,(H,13,14).
What are the key properties of [2-(trifluoromethyl)pyrimidin-5-yl]carbamic acid?
[2-(trifluoromethyl)pyrimidin-5-yl]carbamic acid has a molecular weight of 207.11 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)pyrimidin-5-yl]carbamic acid is sourced from PubChem (CID 71227563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).