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

C12H18F3N3O — CID 103476182

IUPACN-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(COCC(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c1-3-5-9-6-10(16-4-2)18-11(17-9)7-19-8-12(13,14)15/h6H,3-5,7-8H2,1-2H3,(H,16,17,18)
InChIKeyHGEPOVCEKQCXNB-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.94
Rot. Bonds7

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

N-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (PubChem CID 103476182) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
PubChem CID103476182
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(COCC(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c1-3-5-9-6-10(16-4-2)18-11(17-9)7-19-8-12(13,14)15/h6H,3-5,7-8H2,1-2H3,(H,16,17,18)
InChIKeyHGEPOVCEKQCXNB-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476187
N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150288
4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 113401247
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine
CID 103057969
N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103476567
2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191609
2-benzyl-N-ethyl-6-propylpyrimidin-4-amine
CID 62192157
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434
3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179290
6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935204
5-iodo-N-methyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476269

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (CID 103476182) is N-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is CCCc1cc(NCC)nc(COCC(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The InChIKey is HGEPOVCEKQCXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-3-5-9-6-10(16-4-2)18-11(17-9)7-19-8-12(13,14)15/h6H,3-5,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
N-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103476182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).