[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate

C11H12F3N3O2 — CID 2730324

IUPAC[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(C(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C11H12F3N3O2/c1-17(2)10(18)19-8-5-7(11(12,13)14)15-9(16-8)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyRHTILAZZFAFQAO-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.43
Rot. Bonds2

About [2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate

[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate (PubChem CID 2730324) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is [2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate
PubChem CID2730324
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(C(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C11H12F3N3O2/c1-17(2)10(18)19-8-5-7(11(12,13)14)15-9(16-8)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyRHTILAZZFAFQAO-UHFFFAOYSA-N
XLogP2.43
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-propyl-4-pyrimidinyl N,N-dimethylcarbamate
CID 17325
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide
CID 911086
2-(Dimethylamino)-6-methylpyrimidin-4-yl dimethylcarbamate
CID 14054371
(6-Methyl-2-propan-2-ylpyrimidin-4-yl) morpholine-4-carboxylate
CID 76326768
2-Isopropyl-6-methylpyrimidin-4-yl dimethylcarbamate
CID 20337857
(6-methyl-2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamate
CID 53666752
[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate
CID 54163373
2-(Dimethylamino)-6-methylpyrimidin-4-yl diethylcarbamate
CID 76327438
[6-methyl-2-(methylamino)pyrimidin-4-yl] N,N-dimethylcarbamate
CID 76309315
[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-diethylcarbamate
CID 76316536
(2-methoxy-6-methylpyrimidin-4-yl) N,N-dimethylcarbamate
CID 76320254
(2,6-dimethylpyrimidin-4-yl) N,N-dimethylcarbamate
CID 76331132

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate?
The IUPAC name of [2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate (CID 2730324) is [2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cc(C(F)(F)F)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate?
The InChIKey is RHTILAZZFAFQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c1-17(2)10(18)19-8-5-7(11(12,13)14)15-9(16-8)6-3-4-6/h5-6H,3-4H2,1-2H3.
What are the key properties of [2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate?
[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate has a molecular weight of 275.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 2730324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).