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

C15H15F3N8 — CID 69080530

IUPAC4-N-methyl-2-N-[3-methyl-1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(Cc3cnccn3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C15H15F3N8/c1-9-12(8-26(25-9)7-10-5-20-3-4-21-10)23-14-22-6-11(15(16,17)18)13(19-2)24-14/h3-6,8H,7H2,1-2H3,(H2,19,22,23,24)
InChIKeyNUZNAHKJHODOFF-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.62
Rot. Bonds5

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

4-N-methyl-2-N-[3-methyl-1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69080530) has the molecular formula C15H15F3N8 and a molecular weight of 364.34 g/mol. Its IUPAC name is 4-N-methyl-2-N-[3-methyl-1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-[3-methyl-1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69080530
Molecular FormulaC15H15F3N8
Molecular Weight364.34 g/mol
Exact Mass364.14
IUPAC Name4-N-methyl-2-N-[3-methyl-1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(Cc3cnccn3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C15H15F3N8/c1-9-12(8-26(25-9)7-10-5-20-3-4-21-10)23-14-22-6-11(15(16,17)18)13(19-2)24-14/h3-6,8H,7H2,1-2H3,(H2,19,22,23,24)
InChIKeyNUZNAHKJHODOFF-UHFFFAOYSA-N
XLogP2.62
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-methyl-2-N-[3-methyl-1-(pyrazin-2-ylmethyl)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

Related Compounds

4-N-methyl-2-N-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281581
4-N-methyl-2-N-[3-methyl-1-[[1-(1,2,4-triazol-1-ylmethyl)cyclopropyl]methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 135374362
2-N-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 166595821
(2R)-3,3-difluoro-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 140943482
(2R)-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]but-3-ynenitrile
CID 131994940
4-N-methyl-2-N-[3-methyl-1-(oxetan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281709
4-N-methyl-2-N-(3-methyl-1-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093697
2-N-[1-[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 134277983
2-N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943485
2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 69094020
4-N-methyl-2-N-[3-methyl-1-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281596
4-N-methyl-2-N-[3-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092000

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[3-methyl-1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-[3-methyl-1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69080530) is 4-N-methyl-2-N-[3-methyl-1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-[3-methyl-1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-[3-methyl-1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cn(Cc3cnccn3)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 4-N-methyl-2-N-[3-methyl-1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is NUZNAHKJHODOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N8/c1-9-12(8-26(25-9)7-10-5-20-3-4-21-10)23-14-22-6-11(15(16,17)18)13(19-2)24-14/h3-6,8H,7H2,1-2H3,(H2,19,22,23,24).
What are the key properties of 4-N-methyl-2-N-[3-methyl-1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-methyl-2-N-[3-methyl-1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 364.34 g/mol, XLogP of 2.62, 5 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-[3-methyl-1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69080530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).