N-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

C11H14F3N3O — CID 114206559

IUPACN-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(C2CCOC2)nc1C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-15-4-8-5-16-10(7-2-3-18-6-7)17-9(8)11(12,13)14/h5,7,15H,2-4,6H2,1H3
InChIKeyFWGHGUSEVIHYSO-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.72
Rot. Bonds3

About N-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

N-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 114206559) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID114206559
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(C2CCOC2)nc1C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-15-4-8-5-16-10(7-2-3-18-6-7)17-9(8)11(12,13)14/h5,7,15H,2-4,6H2,1H3
InChIKeyFWGHGUSEVIHYSO-UHFFFAOYSA-N
XLogP1.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (CID 114206559) is N-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is CNCc1cnc(C2CCOC2)nc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is FWGHGUSEVIHYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-15-4-8-5-16-10(7-2-3-18-6-7)17-9(8)11(12,13)14/h5,7,15H,2-4,6H2,1H3.
What are the key properties of N-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
N-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 261.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(oxolan-3-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114206559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).