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

C14H15F3N8 — CID 69281779

IUPAC4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnn(-c3cnn(C)c3)c2C)ncc1C(F)(F)F
InChIInChI=1S/C14H15F3N8/c1-8-11(6-21-25(8)9-4-20-24(3)7-9)22-13-19-5-10(14(15,16)17)12(18-2)23-13/h4-7H,1-3H3,(H2,18,19,22,23)
InChIKeyAWMKYHQFSURBDO-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.51
Rot. Bonds4

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

4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69281779) has the molecular formula C14H15F3N8 and a molecular weight of 352.32 g/mol. Its IUPAC name is 4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69281779
Molecular FormulaC14H15F3N8
Molecular Weight352.32 g/mol
Exact Mass352.14
IUPAC Name4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnn(-c3cnn(C)c3)c2C)ncc1C(F)(F)F
InChIInChI=1S/C14H15F3N8/c1-8-11(6-21-25(8)9-4-20-24(3)7-9)22-13-19-5-10(14(15,16)17)12(18-2)23-13/h4-7H,1-3H3,(H2,18,19,22,23)
InChIKeyAWMKYHQFSURBDO-UHFFFAOYSA-N
XLogP2.51
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(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

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69281779) is 4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cnn(-c3cnn(C)c3)c2C)ncc1C(F)(F)F.
What is the InChIKey of 4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is AWMKYHQFSURBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N8/c1-8-11(6-21-25(8)9-4-20-24(3)7-9)22-13-19-5-10(14(15,16)17)12(18-2)23-13/h4-7H,1-3H3,(H2,18,19,22,23).
What are the key properties of 4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 352.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-[5-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69281779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).