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

C11H15ClF3N3O — CID 106178774

IUPAC3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3O/c1-3-10(2,4-5-19)18-8-6-7(12)16-9(17-8)11(13,14)15/h6,19H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyPKJBBBJYPDAZON-UHFFFAOYSA-N
MW297.71 g/mol
LogP3.11
Rot. Bonds5

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

3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol (PubChem CID 106178774) has the molecular formula C11H15ClF3N3O and a molecular weight of 297.71 g/mol. Its IUPAC name is 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
PubChem CID106178774
Molecular FormulaC11H15ClF3N3O
Molecular Weight297.71 g/mol
Exact Mass297.09
IUPAC Name3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3O/c1-3-10(2,4-5-19)18-8-6-7(12)16-9(17-8)11(13,14)15/h6,19H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyPKJBBBJYPDAZON-UHFFFAOYSA-N
XLogP3.11
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol (CID 106178774) is 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol is CCC(C)(CCO)Nc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
The InChIKey is PKJBBBJYPDAZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O/c1-3-10(2,4-5-19)18-8-6-7(12)16-9(17-8)11(13,14)15/h6,19H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol has a molecular weight of 297.71 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106178774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).