6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine

C13H20F3N3O — CID 103476187

IUPAC6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(COCC(F)(F)F)n1
InChIInChI=1S/C13H20F3N3O/c1-5-17-10-6-9(12(2,3)4)18-11(19-10)7-20-8-13(14,15)16/h6H,5,7-8H2,1-4H3,(H,17,18,19)
InChIKeyDOCDKFSQLCVDHJ-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.28
Rot. Bonds5

About 6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine

6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (PubChem CID 103476187) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
PubChem CID103476187
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(COCC(F)(F)F)n1
InChIInChI=1S/C13H20F3N3O/c1-5-17-10-6-9(12(2,3)4)18-11(19-10)7-20-8-13(14,15)16/h6H,5,7-8H2,1-4H3,(H,17,18,19)
InChIKeyDOCDKFSQLCVDHJ-UHFFFAOYSA-N
XLogP3.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476182
6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476186
N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150288
[6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine
CID 62251621
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 63487149
N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434
4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 113401247
3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179290
6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 55045244
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine
CID 103057969
6-tert-butyl-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 63486632

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (CID 103476187) is 6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is CCNc1cc(C(C)(C)C)nc(COCC(F)(F)F)n1.
What is the InChIKey of 6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The InChIKey is DOCDKFSQLCVDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-5-17-10-6-9(12(2,3)4)18-11(19-10)7-20-8-13(14,15)16/h6H,5,7-8H2,1-4H3,(H,17,18,19).
What are the key properties of 6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine has a molecular weight of 291.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103476187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).