4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C13H17F3N6 — CID 69092952

IUPAC4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCn1ncc(Nc2ncc(C(F)(F)F)c(NC)n2)c1C
InChIInChI=1S/C13H17F3N6/c1-4-5-22-8(2)10(7-19-22)20-12-18-6-9(13(14,15)16)11(17-3)21-12/h6-7H,4-5H2,1-3H3,(H2,17,18,20,21)
InChIKeyJEEGDOFPGVOHPH-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.20
Rot. Bonds5

About 4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69092952) has the molecular formula C13H17F3N6 and a molecular weight of 314.32 g/mol. Its IUPAC name is 4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69092952
Molecular FormulaC13H17F3N6
Molecular Weight314.32 g/mol
Exact Mass314.15
IUPAC Name4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCn1ncc(Nc2ncc(C(F)(F)F)c(NC)n2)c1C
InChIInChI=1S/C13H17F3N6/c1-4-5-22-8(2)10(7-19-22)20-12-18-6-9(13(14,15)16)11(17-3)21-12/h6-7H,4-5H2,1-3H3,(H2,17,18,20,21)
InChIKeyJEEGDOFPGVOHPH-UHFFFAOYSA-N
XLogP3.20
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Dnl-201
CID 69093374
2-Methyl-2-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69092949
3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
2-Methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propan-2-ol
CID 67817055
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 69081779
2-N-[1-(2-methoxyethyl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69081998
N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
CID 69083959
2-N-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69085771
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
4-N-methyl-2-N-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093113

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69092952) is 4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCCn1ncc(Nc2ncc(C(F)(F)F)c(NC)n2)c1C.
What is the InChIKey of 4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is JEEGDOFPGVOHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N6/c1-4-5-22-8(2)10(7-19-22)20-12-18-6-9(13(14,15)16)11(17-3)21-12/h6-7H,4-5H2,1-3H3,(H2,17,18,20,21).
What are the key properties of 4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 314.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69092952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).