N,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

C12H18F3N3O — CID 80950201

IUPACN,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCNc1cc(OCC(F)(F)F)nc(CCC)n1
InChIInChI=1S/C12H18F3N3O/c1-3-5-9-17-10(16-6-4-2)7-11(18-9)19-8-12(13,14)15/h7H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyWGBDAZDRWYDLRV-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.19
Rot. Bonds7

About N,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

N,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80950201) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80950201
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCNc1cc(OCC(F)(F)F)nc(CCC)n1
InChIInChI=1S/C12H18F3N3O/c1-3-5-9-17-10(16-6-4-2)7-11(18-9)19-8-12(13,14)15/h7H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyWGBDAZDRWYDLRV-UHFFFAOYSA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of N,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80950201) is N,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for N,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for N,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is CCCNc1cc(OCC(F)(F)F)nc(CCC)n1.
What is the InChIKey of N,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is WGBDAZDRWYDLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-3-5-9-17-10(16-6-4-2)7-11(18-9)19-8-12(13,14)15/h7H,3-6,8H2,1-2H3,(H,16,17,18).
What are the key properties of N,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
N,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dipropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80950201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).