6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid

C15H11FN4O2 — CID 90451004

IUPAC6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid
SMILESC=Cc1c(N)nc(-c2ccc3cc[nH]c3c2F)nc1C(=O)O
InChIInChI=1S/C15H11FN4O2/c1-2-8-12(15(21)22)19-14(20-13(8)17)9-4-3-7-5-6-18-11(7)10(9)16/h2-6,18H,1H2,(H,21,22)(H2,17,19,20)
InChIKeyZVDJEDSIBGAIQI-UHFFFAOYSA-N
MW298.28 g/mol
LogP2.69
Rot. Bonds3

About 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid

6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid (PubChem CID 90451004) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid
PubChem CID90451004
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid
SMILESC=Cc1c(N)nc(-c2ccc3cc[nH]c3c2F)nc1C(=O)O
InChIInChI=1S/C15H11FN4O2/c1-2-8-12(15(21)22)19-14(20-13(8)17)9-4-3-7-5-6-18-11(7)10(9)16/h2-6,18H,1H2,(H,21,22)(H2,17,19,20)
InChIKeyZVDJEDSIBGAIQI-UHFFFAOYSA-N
XLogP2.69
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid (CID 90451004) is 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid is C=Cc1c(N)nc(-c2ccc3cc[nH]c3c2F)nc1C(=O)O.
What is the InChIKey of 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid?
The InChIKey is ZVDJEDSIBGAIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c1-2-8-12(15(21)22)19-14(20-13(8)17)9-4-3-7-5-6-18-11(7)10(9)16/h2-6,18H,1H2,(H,21,22)(H2,17,19,20).
What are the key properties of 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid?
6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid has a molecular weight of 298.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 90451004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).