4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

C9H10F6N4O — CID 114565117

IUPAC4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCOCC(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C9H10F6N4O/c10-8(11,12)4-20-2-1-17-6-3-5(9(13,14)15)18-7(16)19-6/h3H,1-2,4H2,(H3,16,17,18,19)
InChIKeyOIIGTMQVAROVPW-UHFFFAOYSA-N
MW304.19 g/mol
LogP2.07
Rot. Bonds5

About 4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565117) has the molecular formula C9H10F6N4O and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565117
Molecular FormulaC9H10F6N4O
Molecular Weight304.19 g/mol
Exact Mass304.08
IUPAC Name4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCOCC(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C9H10F6N4O/c10-8(11,12)4-20-2-1-17-6-3-5(9(13,14)15)18-7(16)19-6/h3H,1-2,4H2,(H3,16,17,18,19)
InChIKeyOIIGTMQVAROVPW-UHFFFAOYSA-N
XLogP2.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80846493
6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106434004
4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565829
4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564036
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564072
4-N-[2-(3-fluorophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564151
4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106327552
4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563804
3-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 114565296
4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563868
4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106106748
5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 63827023

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565117) is 4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is Nc1nc(NCCOCC(F)(F)F)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is OIIGTMQVAROVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6N4O/c10-8(11,12)4-20-2-1-17-6-3-5(9(13,14)15)18-7(16)19-6/h3H,1-2,4H2,(H3,16,17,18,19).
What are the key properties of 4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 304.19 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).