6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C14H17F3N6O — CID 131984442

IUPAC6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc(Nc2cnn(C3CCOC3)c2C)nc(N)c1C(F)(F)F
InChIInChI=1S/C14H17F3N6O/c1-7-11(14(15,16)17)12(18)22-13(20-7)21-10-5-19-23(8(10)2)9-3-4-24-6-9/h5,9H,3-4,6H2,1-2H3,(H3,18,20,21,22)
InChIKeyLLNQMKAWSDSURT-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.60
Rot. Bonds3

About 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 131984442) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID131984442
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc(Nc2cnn(C3CCOC3)c2C)nc(N)c1C(F)(F)F
InChIInChI=1S/C14H17F3N6O/c1-7-11(14(15,16)17)12(18)22-13(20-7)21-10-5-19-23(8(10)2)9-3-4-24-6-9/h5,9H,3-4,6H2,1-2H3,(H3,18,20,21,22)
InChIKeyLLNQMKAWSDSURT-UHFFFAOYSA-N
XLogP2.60
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 131984442) is 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1nc(Nc2cnn(C3CCOC3)c2C)nc(N)c1C(F)(F)F.
What is the InChIKey of 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is LLNQMKAWSDSURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-7-11(14(15,16)17)12(18)22-13(20-7)21-10-5-19-23(8(10)2)9-3-4-24-6-9/h5,9H,3-4,6H2,1-2H3,(H3,18,20,21,22).
What are the key properties of 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 342.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 131984442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).