N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine

C25H24FN5 — CID 135333224

IUPACN-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine
SMILESCc1cc(F)cc2c1cc(C)n2CCNc1cc(-c2ccc3c(ccn3C)c2)ncn1
InChIInChI=1S/C25H24FN5/c1-16-10-20(26)13-24-21(16)11-17(2)31(24)9-7-27-25-14-22(28-15-29-25)18-4-5-23-19(12-18)6-8-30(23)3/h4-6,8,10-15H,7,9H2,1-3H3,(H,27,28,29)
InChIKeySDEDLOVGRTYEFD-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.46
Rot. Bonds5

About N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine

N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine (PubChem CID 135333224) has the molecular formula C25H24FN5 and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine
PubChem CID135333224
Molecular FormulaC25H24FN5
Molecular Weight413.50 g/mol
Exact Mass413.20
IUPAC NameN-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine
SMILESCc1cc(F)cc2c1cc(C)n2CCNc1cc(-c2ccc3c(ccn3C)c2)ncn1
InChIInChI=1S/C25H24FN5/c1-16-10-20(26)13-24-21(16)11-17(2)31(24)9-7-27-25-14-22(28-15-29-25)18-4-5-23-19(12-18)6-8-30(23)3/h4-6,8,10-15H,7,9H2,1-3H3,(H,27,28,29)
InChIKeySDEDLOVGRTYEFD-UHFFFAOYSA-N
XLogP5.46
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine (CID 135333224) is N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine is Cc1cc(F)cc2c1cc(C)n2CCNc1cc(-c2ccc3c(ccn3C)c2)ncn1.
What is the InChIKey of N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine?
The InChIKey is SDEDLOVGRTYEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5/c1-16-10-20(26)13-24-21(16)11-17(2)31(24)9-7-27-25-14-22(28-15-29-25)18-4-5-23-19(12-18)6-8-30(23)3/h4-6,8,10-15H,7,9H2,1-3H3,(H,27,28,29).
What are the key properties of N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine?
N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine has a molecular weight of 413.50 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 135333224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).