[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate

C7H6F3N3O2 — CID 174681554

IUPAC[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate
SMILESCc1ncc(OC(N)=O)c(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O2/c1-3-12-2-4(15-6(11)14)5(13-3)7(8,9)10/h2H,1H3,(H2,11,14)
InChIKeyUTPJXBBUWOHQIT-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.26
Rot. Bonds1

About [2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate

[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate (PubChem CID 174681554) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is [2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate
PubChem CID174681554
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate
SMILESCc1ncc(OC(N)=O)c(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O2/c1-3-12-2-4(15-6(11)14)5(13-3)7(8,9)10/h2H,1H3,(H2,11,14)
InChIKeyUTPJXBBUWOHQIT-UHFFFAOYSA-N
XLogP1.26
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate?
The IUPAC name of [2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate (CID 174681554) is [2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate.
What is the SMILES notation for [2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate?
The canonical SMILES for [2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate is Cc1ncc(OC(N)=O)c(C(F)(F)F)n1.
What is the InChIKey of [2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate?
The InChIKey is UTPJXBBUWOHQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c1-3-12-2-4(15-6(11)14)5(13-3)7(8,9)10/h2H,1H3,(H2,11,14).
What are the key properties of [2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate?
[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate has a molecular weight of 221.14 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(trifluoromethyl)pyrimidin-5-yl] carbamate is sourced from PubChem (CID 174681554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).