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

C14H15F3N8 — CID 69281780

IUPAC4-N-methyl-2-N-[3-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(-c3cnn(C)c3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C14H15F3N8/c1-8-11(7-25(23-8)9-4-20-24(3)6-9)21-13-19-5-10(14(15,16)17)12(18-2)22-13/h4-7H,1-3H3,(H2,18,19,21,22)
InChIKeyZBXREODTZFOOJR-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.51
Rot. Bonds4

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

4-N-methyl-2-N-[3-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69281780) has the molecular formula C14H15F3N8 and a molecular weight of 352.32 g/mol. Its IUPAC name is 4-N-methyl-2-N-[3-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-[3-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69281780
Molecular FormulaC14H15F3N8
Molecular Weight352.32 g/mol
Exact Mass352.14
IUPAC Name4-N-methyl-2-N-[3-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(-c3cnn(C)c3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C14H15F3N8/c1-8-11(7-25(23-8)9-4-20-24(3)6-9)21-13-19-5-10(14(15,16)17)12(18-2)22-13/h4-7H,1-3H3,(H2,18,19,21,22)
InChIKeyZBXREODTZFOOJR-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

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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-N-[1-(2-methoxyethyl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69081998
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
2,2-Dimethyl-3-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69093123
4-N-methyl-2-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093313
N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
CID 69093445

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[3-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-[3-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69281780) is 4-N-methyl-2-N-[3-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-[3-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-[3-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cn(-c3cnn(C)c3)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 4-N-methyl-2-N-[3-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is ZBXREODTZFOOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N8/c1-8-11(7-25(23-8)9-4-20-24(3)6-9)21-13-19-5-10(14(15,16)17)12(18-2)22-13/h4-7H,1-3H3,(H2,18,19,21,22).
What are the key properties of 4-N-methyl-2-N-[3-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-methyl-2-N-[3-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-[3-methyl-1-(1-methylpyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69281780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).