2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine

C17H25F3N6O — CID 152508107

IUPAC2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
SMILESCNC1=C(C(F)(F)F)C=NC(N)(c2cnn(C3CC(C)OC(C)C3)c2C)N1
InChIInChI=1S/C17H25F3N6O/c1-9-5-12(6-10(2)27-9)26-11(3)13(8-24-26)17(21)23-7-14(16(18,19)20)15(22-4)25-17/h7-10,12,22,25H,5-6,21H2,1-4H3
InChIKeyGWQPXPLKPGEFHN-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.06
Rot. Bonds3

About 2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine

2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine (PubChem CID 152508107) has the molecular formula C17H25F3N6O and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine.

Molecular Properties

Compound Name2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
PubChem CID152508107
Molecular FormulaC17H25F3N6O
Molecular Weight386.42 g/mol
Exact Mass386.20
IUPAC Name2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
SMILESCNC1=C(C(F)(F)F)C=NC(N)(c2cnn(C3CC(C)OC(C)C3)c2C)N1
InChIInChI=1S/C17H25F3N6O/c1-9-5-12(6-10(2)27-9)26-11(3)13(8-24-26)17(21)23-7-14(16(18,19)20)15(22-4)25-17/h7-10,12,22,25H,5-6,21H2,1-4H3
InChIKeyGWQPXPLKPGEFHN-UHFFFAOYSA-N
XLogP2.06
TPSA89.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-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 2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
The IUPAC name of 2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine (CID 152508107) is 2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine.
What is the SMILES notation for 2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
The canonical SMILES for 2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine is CNC1=C(C(F)(F)F)C=NC(N)(c2cnn(C3CC(C)OC(C)C3)c2C)N1.
What is the InChIKey of 2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
The InChIKey is GWQPXPLKPGEFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N6O/c1-9-5-12(6-10(2)27-9)26-11(3)13(8-24-26)17(21)23-7-14(16(18,19)20)15(22-4)25-17/h7-10,12,22,25H,5-6,21H2,1-4H3.
What are the key properties of 2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine has a molecular weight of 386.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine is sourced from PubChem (CID 152508107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).