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

C17H23F3N6O — CID 131984384

IUPAC6-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc(-c2cnn(C3CC(C)OC(C)C3)c2C)c1C(F)(F)F
InChIInChI=1S/C17H23F3N6O/c1-8-5-11(6-9(2)27-8)26-10(3)12(7-23-26)14-13(17(18,19)20)15(22-4)25-16(21)24-14/h7-9,11H,5-6H2,1-4H3,(H3,21,22,24,25)
InChIKeyYAEAOMRWOKFTLE-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.42
Rot. Bonds3

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

6-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 131984384) has the molecular formula C17H23F3N6O and a molecular weight of 384.41 g/mol. Its IUPAC name is 6-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID131984384
Molecular FormulaC17H23F3N6O
Molecular Weight384.41 g/mol
Exact Mass384.19
IUPAC Name6-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc(-c2cnn(C3CC(C)OC(C)C3)c2C)c1C(F)(F)F
InChIInChI=1S/C17H23F3N6O/c1-8-5-11(6-9(2)27-8)26-10(3)12(7-23-26)14-13(17(18,19)20)15(22-4)25-16(21)24-14/h7-9,11H,5-6H2,1-4H3,(H3,21,22,24,25)
InChIKeyYAEAOMRWOKFTLE-UHFFFAOYSA-N
XLogP3.42
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 131984384) is 6-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(N)nc(-c2cnn(C3CC(C)OC(C)C3)c2C)c1C(F)(F)F.
What is the InChIKey of 6-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is YAEAOMRWOKFTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O/c1-8-5-11(6-9(2)27-8)26-10(3)12(7-23-26)14-13(17(18,19)20)15(22-4)25-16(21)24-14/h7-9,11H,5-6H2,1-4H3,(H3,21,22,24,25).
What are the key properties of 6-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
6-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 384.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 131984384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).