N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine

C18H19F3N4 — CID 56874224

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(C(F)(F)F)nc(NCc2ccc3[nH]c(C)c(C)c3c2)c1C
InChIInChI=1S/C18H19F3N4/c1-9-11(3)23-15-6-5-13(7-14(9)15)8-22-16-10(2)12(4)24-17(25-16)18(19,20)21/h5-7,23H,8H2,1-4H3,(H,22,24,25)
InChIKeyPGMVPMLSWPBWRR-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.82
Rot. Bonds3

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 56874224) has the molecular formula C18H19F3N4 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID56874224
Molecular FormulaC18H19F3N4
Molecular Weight348.37 g/mol
Exact Mass348.16
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(C(F)(F)F)nc(NCc2ccc3[nH]c(C)c(C)c3c2)c1C
InChIInChI=1S/C18H19F3N4/c1-9-11(3)23-15-6-5-13(7-14(9)15)8-22-16-10(2)12(4)24-17(25-16)18(19,20)21/h5-7,23H,8H2,1-4H3,(H,22,24,25)
InChIKeyPGMVPMLSWPBWRR-UHFFFAOYSA-N
XLogP4.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 56874224) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine is Cc1nc(C(F)(F)F)nc(NCc2ccc3[nH]c(C)c(C)c3c2)c1C.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PGMVPMLSWPBWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4/c1-9-11(3)23-15-6-5-13(7-14(9)15)8-22-16-10(2)12(4)24-17(25-16)18(19,20)21/h5-7,23H,8H2,1-4H3,(H,22,24,25).
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 348.37 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 56874224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).