4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine

C8H10F3N3O — CID 90938738

IUPAC4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1cc(C(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C8H10F3N3O/c1-14(2)7-12-5(8(9,10)11)4-6(13-7)15-3/h4H,1-3H3
InChIKeyKAXDNUJXJGFTQS-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.57
Rot. Bonds2

About 4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine

4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 90938738) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID90938738
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1cc(C(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C8H10F3N3O/c1-14(2)7-12-5(8(9,10)11)4-6(13-7)15-3/h4H,1-3H3
InChIKeyKAXDNUJXJGFTQS-UHFFFAOYSA-N
XLogP1.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 90938738) is 4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine is COc1cc(C(F)(F)F)nc(N(C)C)n1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KAXDNUJXJGFTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-14(2)7-12-5(8(9,10)11)4-6(13-7)15-3/h4H,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 221.18 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 90938738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).