N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine

C13H21F3N4 — CID 62281609

IUPACN-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
SMILESCCN(CC(F)(F)F)c1cnc(C(C)C)nc1CNC
InChIInChI=1S/C13H21F3N4/c1-5-20(8-13(14,15)16)11-7-18-12(9(2)3)19-10(11)6-17-4/h7,9,17H,5-6,8H2,1-4H3
InChIKeyBFJQMNQOYNUYTG-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.71
Rot. Bonds6

About N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine

N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine (PubChem CID 62281609) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
PubChem CID62281609
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC NameN-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
SMILESCCN(CC(F)(F)F)c1cnc(C(C)C)nc1CNC
InChIInChI=1S/C13H21F3N4/c1-5-20(8-13(14,15)16)11-7-18-12(9(2)3)19-10(11)6-17-4/h7,9,17H,5-6,8H2,1-4H3
InChIKeyBFJQMNQOYNUYTG-UHFFFAOYSA-N
XLogP2.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The IUPAC name of N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine (CID 62281609) is N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine.
What is the SMILES notation for N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The canonical SMILES for N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine is CCN(CC(F)(F)F)c1cnc(C(C)C)nc1CNC.
What is the InChIKey of N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The InChIKey is BFJQMNQOYNUYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-5-20(8-13(14,15)16)11-7-18-12(9(2)3)19-10(11)6-17-4/h7,9,17H,5-6,8H2,1-4H3.
What are the key properties of N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine has a molecular weight of 290.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine is sourced from PubChem (CID 62281609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).