N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

C17H11F3N4O2 — CID 10155412

IUPACN-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(Nc2ccc3c(c2)OCO3)nc(-c2cccnc2)n1
InChIInChI=1S/C17H11F3N4O2/c18-17(19,20)14-7-15(24-16(23-14)10-2-1-5-21-8-10)22-11-3-4-12-13(6-11)26-9-25-12/h1-8H,9H2,(H,22,23,24)
InChIKeyMXOADGILTSGYGT-UHFFFAOYSA-N
MW360.30 g/mol
LogP4.03
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 10155412) has the molecular formula C17H11F3N4O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID10155412
Molecular FormulaC17H11F3N4O2
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(Nc2ccc3c(c2)OCO3)nc(-c2cccnc2)n1
InChIInChI=1S/C17H11F3N4O2/c18-17(19,20)14-7-15(24-16(23-14)10-2-1-5-21-8-10)22-11-3-4-12-13(6-11)26-9-25-12/h1-8H,9H2,(H,22,23,24)
InChIKeyMXOADGILTSGYGT-UHFFFAOYSA-N
XLogP4.03
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 10155412) is N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(Nc2ccc3c(c2)OCO3)nc(-c2cccnc2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MXOADGILTSGYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2/c18-17(19,20)14-7-15(24-16(23-14)10-2-1-5-21-8-10)22-11-3-4-12-13(6-11)26-9-25-12/h1-8H,9H2,(H,22,23,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 360.30 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 10155412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).