6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine

C12H19F3N4O — CID 80959621

IUPAC6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCOCC(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C12H19F3N4O/c1-8(2)11-18-9(16-3)6-10(19-11)17-4-5-20-7-12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyVUUJRUOHHUFOLZ-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.63
Rot. Bonds7

About 6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine

6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine (PubChem CID 80959621) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
PubChem CID80959621
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCOCC(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C12H19F3N4O/c1-8(2)11-18-9(16-3)6-10(19-11)17-4-5-20-7-12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyVUUJRUOHHUFOLZ-UHFFFAOYSA-N
XLogP2.63
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine (CID 80959621) is 6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine is CNc1cc(NCCOCC(F)(F)F)nc(C(C)C)n1.
What is the InChIKey of 6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The InChIKey is VUUJRUOHHUFOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-8(2)11-18-9(16-3)6-10(19-11)17-4-5-20-7-12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine has a molecular weight of 292.31 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80959621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).