4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C11H15F3N4O2 — CID 103541947

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOC1CN(c2cc(C(F)(F)F)nc(N)n2)CC1OC
InChIInChI=1S/C11H15F3N4O2/c1-19-6-4-18(5-7(6)20-2)9-3-8(11(12,13)14)16-10(15)17-9/h3,6-7H,4-5H2,1-2H3,(H2,15,16,17)
InChIKeyNPPMHBHJJDIIOT-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.93
Rot. Bonds3

About 4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 103541947) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID103541947
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOC1CN(c2cc(C(F)(F)F)nc(N)n2)CC1OC
InChIInChI=1S/C11H15F3N4O2/c1-19-6-4-18(5-7(6)20-2)9-3-8(11(12,13)14)16-10(15)17-9/h3,6-7H,4-5H2,1-2H3,(H2,15,16,17)
InChIKeyNPPMHBHJJDIIOT-UHFFFAOYSA-N
XLogP0.93
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 103541947) is 4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine is COC1CN(c2cc(C(F)(F)F)nc(N)n2)CC1OC.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is NPPMHBHJJDIIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-19-6-4-18(5-7(6)20-2)9-3-8(11(12,13)14)16-10(15)17-9/h3,6-7H,4-5H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 292.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 103541947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).