5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine

C19H18F3N5O — CID 133291008

IUPAC5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCc2cccnc2OCC(F)(F)F)c1C
InChIInChI=1S/C19H18F3N5O/c1-12-13(2)26-17(15-7-3-4-8-23-15)27-16(12)25-10-14-6-5-9-24-18(14)28-11-19(20,21)22/h3-9H,10-11H2,1-2H3,(H,25,26,27)
InChIKeyFWCJJZCRRZELNY-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.10
Rot. Bonds6

About 5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine

5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine (PubChem CID 133291008) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine
PubChem CID133291008
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCc2cccnc2OCC(F)(F)F)c1C
InChIInChI=1S/C19H18F3N5O/c1-12-13(2)26-17(15-7-3-4-8-23-15)27-16(12)25-10-14-6-5-9-24-18(14)28-11-19(20,21)22/h3-9H,10-11H2,1-2H3,(H,25,26,27)
InChIKeyFWCJJZCRRZELNY-UHFFFAOYSA-N
XLogP4.10
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine (CID 133291008) is 5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(NCc2cccnc2OCC(F)(F)F)c1C.
What is the InChIKey of 5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine?
The InChIKey is FWCJJZCRRZELNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-12-13(2)26-17(15-7-3-4-8-23-15)27-16(12)25-10-14-6-5-9-24-18(14)28-11-19(20,21)22/h3-9H,10-11H2,1-2H3,(H,25,26,27).
What are the key properties of 5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine?
5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine has a molecular weight of 389.38 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133291008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).