6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine

C24H23FN4O2 — CID 156760110

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2ccc3c(c2)OCCO3)ncn1
InChIInChI=1S/C24H23FN4O2/c1-15-3-5-19(25)24-18(15)11-16(2)29(24)8-7-26-23-13-20(27-14-28-23)17-4-6-21-22(12-17)31-10-9-30-21/h3-6,11-14H,7-10H2,1-2H3,(H,26,27,28)
InChIKeyJFNRFXQKHUHDPO-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.74
Rot. Bonds5

About 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 156760110) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine
PubChem CID156760110
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2ccc3c(c2)OCCO3)ncn1
InChIInChI=1S/C24H23FN4O2/c1-15-3-5-19(25)24-18(15)11-16(2)29(24)8-7-26-23-13-20(27-14-28-23)17-4-6-21-22(12-17)31-10-9-30-21/h3-6,11-14H,7-10H2,1-2H3,(H,26,27,28)
InChIKeyJFNRFXQKHUHDPO-UHFFFAOYSA-N
XLogP4.74
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine (CID 156760110) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine is Cc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2ccc3c(c2)OCCO3)ncn1.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is JFNRFXQKHUHDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-15-3-5-19(25)24-18(15)11-16(2)29(24)8-7-26-23-13-20(27-14-28-23)17-4-6-21-22(12-17)31-10-9-30-21/h3-6,11-14H,7-10H2,1-2H3,(H,26,27,28).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 418.47 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 156760110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).