3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol

C11H13ClF3N3O — CID 114630384

IUPAC3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H13ClF3N3O/c1-10(2)5(3-7(10)19)16-8-4-6(11(13,14)15)17-9(12)18-8/h4-5,7,19H,3H2,1-2H3,(H,16,17,18)
InChIKeyYTBUYTBSXMWHLH-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.72
Rot. Bonds2

About 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol

3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114630384) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114630384
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H13ClF3N3O/c1-10(2)5(3-7(10)19)16-8-4-6(11(13,14)15)17-9(12)18-8/h4-5,7,19H,3H2,1-2H3,(H,16,17,18)
InChIKeyYTBUYTBSXMWHLH-UHFFFAOYSA-N
XLogP2.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol (CID 114630384) is 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is YTBUYTBSXMWHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-10(2)5(3-7(10)19)16-8-4-6(11(13,14)15)17-9(12)18-8/h4-5,7,19H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 295.69 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114630384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).