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

C17H18F3N7 — CID 131984360

IUPAC6-methyl-2-N-[5-methyl-1-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc(Nc2cnn(C(C)c3ccccn3)c2C)nc(N)c1C(F)(F)F
InChIInChI=1S/C17H18F3N7/c1-9-14(17(18,19)20)15(21)26-16(24-9)25-13-8-23-27(11(13)3)10(2)12-6-4-5-7-22-12/h4-8,10H,1-3H3,(H3,21,24,25,26)
InChIKeyPURHDJZMNDPZLO-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.64
Rot. Bonds4

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

6-methyl-2-N-[5-methyl-1-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 131984360) has the molecular formula C17H18F3N7 and a molecular weight of 377.37 g/mol. Its IUPAC name is 6-methyl-2-N-[5-methyl-1-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[5-methyl-1-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID131984360
Molecular FormulaC17H18F3N7
Molecular Weight377.37 g/mol
Exact Mass377.16
IUPAC Name6-methyl-2-N-[5-methyl-1-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc(Nc2cnn(C(C)c3ccccn3)c2C)nc(N)c1C(F)(F)F
InChIInChI=1S/C17H18F3N7/c1-9-14(17(18,19)20)15(21)26-16(24-9)25-13-8-23-27(11(13)3)10(2)12-6-4-5-7-22-12/h4-8,10H,1-3H3,(H3,21,24,25,26)
InChIKeyPURHDJZMNDPZLO-UHFFFAOYSA-N
XLogP3.64
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-2-N-[5-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 131984468
6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 131984393
4-methyl-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562251
6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521
5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 66077919
2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781349
6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775355
5-methyl-3-(1-pyridin-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 81138308
5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole
CID 79282956
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
CID 166470570
N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[5-methyl-1-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[5-methyl-1-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 131984360) is 6-methyl-2-N-[5-methyl-1-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[5-methyl-1-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[5-methyl-1-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1nc(Nc2cnn(C(C)c3ccccn3)c2C)nc(N)c1C(F)(F)F.
What is the InChIKey of 6-methyl-2-N-[5-methyl-1-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is PURHDJZMNDPZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7/c1-9-14(17(18,19)20)15(21)26-16(24-9)25-13-8-23-27(11(13)3)10(2)12-6-4-5-7-22-12/h4-8,10H,1-3H3,(H3,21,24,25,26).
What are the key properties of 6-methyl-2-N-[5-methyl-1-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
6-methyl-2-N-[5-methyl-1-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 377.37 g/mol, XLogP of 3.64, 4 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-(1-pyridin-2-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 131984360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).