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

C16H13FN4O2 — CID 90451013

IUPACmethyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate
SMILESC=Cc1c(N)nc(-c2ccc3cc[nH]c3c2F)nc1C(=O)OC
InChIInChI=1S/C16H13FN4O2/c1-3-9-13(16(22)23-2)20-15(21-14(9)18)10-5-4-8-6-7-19-12(8)11(10)17/h3-7,19H,1H2,2H3,(H2,18,20,21)
InChIKeyGFIHSDUIZIHFOC-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.78
Rot. Bonds3

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

methyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate (PubChem CID 90451013) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is methyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate
PubChem CID90451013
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Namemethyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate
SMILESC=Cc1c(N)nc(-c2ccc3cc[nH]c3c2F)nc1C(=O)OC
InChIInChI=1S/C16H13FN4O2/c1-3-9-13(16(22)23-2)20-15(21-14(9)18)10-5-4-8-6-7-19-12(8)11(10)17/h3-7,19H,1H2,2H3,(H2,18,20,21)
InChIKeyGFIHSDUIZIHFOC-UHFFFAOYSA-N
XLogP2.78
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate (CID 90451013) is methyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate is C=Cc1c(N)nc(-c2ccc3cc[nH]c3c2F)nc1C(=O)OC.
What is the InChIKey of methyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate?
The InChIKey is GFIHSDUIZIHFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-3-9-13(16(22)23-2)20-15(21-14(9)18)10-5-4-8-6-7-19-12(8)11(10)17/h3-7,19H,1H2,2H3,(H2,18,20,21).
What are the key properties of methyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate?
methyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate has a molecular weight of 312.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-ethenyl-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 90451013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).