6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C11H13ClF3N3O — CID 106767318

IUPAC6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CC1CCCO1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13ClF3N3O/c1-18(6-7-3-2-4-19-7)9-5-8(12)16-10(17-9)11(13,14)15/h5,7H,2-4,6H2,1H3
InChIKeyPECCUSLVPMYFIO-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.76
Rot. Bonds3

About 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767318) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767318
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CC1CCCO1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13ClF3N3O/c1-18(6-7-3-2-4-19-7)9-5-8(12)16-10(17-9)11(13,14)15/h5,7H,2-4,6H2,1H3
InChIKeyPECCUSLVPMYFIO-UHFFFAOYSA-N
XLogP2.76
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767318) is 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is CN(CC1CCCO1)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PECCUSLVPMYFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-18(6-7-3-2-4-19-7)9-5-8(12)16-10(17-9)11(13,14)15/h5,7H,2-4,6H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 295.69 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).