1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine

C8H10F3N3O — CID 83889809

IUPAC1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1cc(OC)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-12-4-5-3-6(15-2)14-7(13-5)8(9,10)11/h3,12H,4H2,1-2H3
InChIKeyMSABLOKNNKYSSH-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.22
Rot. Bonds3

About 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine

1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine (PubChem CID 83889809) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine
PubChem CID83889809
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1cc(OC)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-12-4-5-3-6(15-2)14-7(13-5)8(9,10)11/h3,12H,4H2,1-2H3
InChIKeyMSABLOKNNKYSSH-UHFFFAOYSA-N
XLogP1.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine (CID 83889809) is 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine is CNCc1cc(OC)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is MSABLOKNNKYSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-12-4-5-3-6(15-2)14-7(13-5)8(9,10)11/h3,12H,4H2,1-2H3.
What are the key properties of 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine?
1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 221.18 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 83889809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).