N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C11H16F3N3O — CID 103150288

IUPACN-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCNc1cc(C)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-3-15-10-6-8(2)16-9(17-10)4-5-18-7-11(12,13)14/h6H,3-5,7H2,1-2H3,(H,15,16,17)
InChIKeyQTTIPUROLSEVQF-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.34
Rot. Bonds6

About N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 103150288) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID103150288
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCNc1cc(C)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-3-15-10-6-8(2)16-9(17-10)4-5-18-7-11(12,13)14/h6H,3-5,7H2,1-2H3,(H,15,16,17)
InChIKeyQTTIPUROLSEVQF-UHFFFAOYSA-N
XLogP2.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476182
N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
CID 80654868
6-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476187
N-ethyl-2-(heptoxymethyl)-6-methylpyrimidin-4-amine
CID 80654218
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434
2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
N-ethyl-6-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191589
N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine
CID 80654217
N-ethyl-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150444
3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine
CID 103150794
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657016

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 103150288) is N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCNc1cc(C)nc(CCOCC(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is QTTIPUROLSEVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-15-10-6-8(2)16-9(17-10)4-5-18-7-11(12,13)14/h6H,3-5,7H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103150288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).