2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C13H10F4N6 — CID 171597518

IUPAC2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(F)cc3[nH]ncc23)ncc1C(F)(F)F
InChIInChI=1S/C13H10F4N6/c1-18-11-8(13(15,16)17)5-19-12(22-11)21-9-2-6(14)3-10-7(9)4-20-23-10/h2-5H,1H3,(H,20,23)(H2,18,19,21,22)
InChIKeyRPJHQKUNGXHGGB-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.30
Rot. Bonds3

About 2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 171597518) has the molecular formula C13H10F4N6 and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID171597518
Molecular FormulaC13H10F4N6
Molecular Weight326.26 g/mol
Exact Mass326.09
IUPAC Name2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(F)cc3[nH]ncc23)ncc1C(F)(F)F
InChIInChI=1S/C13H10F4N6/c1-18-11-8(13(15,16)17)5-19-12(22-11)21-9-2-6(14)3-10-7(9)4-20-23-10/h2-5H,1H3,(H,20,23)(H2,18,19,21,22)
InChIKeyRPJHQKUNGXHGGB-UHFFFAOYSA-N
XLogP3.30
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 171597518) is 2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cc(F)cc3[nH]ncc23)ncc1C(F)(F)F.
What is the InChIKey of 2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is RPJHQKUNGXHGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N6/c1-18-11-8(13(15,16)17)5-19-12(22-11)21-9-2-6(14)3-10-7(9)4-20-23-10/h2-5H,1H3,(H,20,23)(H2,18,19,21,22).
What are the key properties of 2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 326.26 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-fluoro-1H-indazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 171597518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).