2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine

C17H19FN4O — CID 50996165

IUPAC2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine
SMILESCOc1cc(F)cc2c1c(CCN(C)C)cn2-c1ncccn1
InChIInChI=1S/C17H19FN4O/c1-21(2)8-5-12-11-22(17-19-6-4-7-20-17)14-9-13(18)10-15(23-3)16(12)14/h4,6-7,9-11H,5,8H2,1-3H3
InChIKeyLCRGZOWANXCKDL-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.67
Rot. Bonds5

About 2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine

2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine (PubChem CID 50996165) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine
PubChem CID50996165
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine
SMILESCOc1cc(F)cc2c1c(CCN(C)C)cn2-c1ncccn1
InChIInChI=1S/C17H19FN4O/c1-21(2)8-5-12-11-22(17-19-6-4-7-20-17)14-9-13(18)10-15(23-3)16(12)14/h4,6-7,9-11H,5,8H2,1-3H3
InChIKeyLCRGZOWANXCKDL-UHFFFAOYSA-N
XLogP2.67
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine (CID 50996165) is 2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine is COc1cc(F)cc2c1c(CCN(C)C)cn2-c1ncccn1.
What is the InChIKey of 2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine?
The InChIKey is LCRGZOWANXCKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-21(2)8-5-12-11-22(17-19-6-4-7-20-17)14-9-13(18)10-15(23-3)16(12)14/h4,6-7,9-11H,5,8H2,1-3H3.
What are the key properties of 2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine?
2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine has a molecular weight of 314.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 50996165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).