4-indol-1-yl-5-methoxypyrimidin-2-amine

C13H12N4O — CID 135203661

IUPAC4-indol-1-yl-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(N)nc1-n1ccc2ccccc21
InChIInChI=1S/C13H12N4O/c1-18-11-8-15-13(14)16-12(11)17-7-6-9-4-2-3-5-10(9)17/h2-8H,1H3,(H2,14,15,16)
InChIKeyGFRRUTHDHOVXPX-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.01
Rot. Bonds2

About 4-indol-1-yl-5-methoxypyrimidin-2-amine

4-indol-1-yl-5-methoxypyrimidin-2-amine (PubChem CID 135203661) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-indol-1-yl-5-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-indol-1-yl-5-methoxypyrimidin-2-amine
PubChem CID135203661
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-indol-1-yl-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(N)nc1-n1ccc2ccccc21
InChIInChI=1S/C13H12N4O/c1-18-11-8-15-13(14)16-12(11)17-7-6-9-4-2-3-5-10(9)17/h2-8H,1H3,(H2,14,15,16)
InChIKeyGFRRUTHDHOVXPX-UHFFFAOYSA-N
XLogP2.01
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-5-methoxypyrimidin-2-amine?
The IUPAC name of 4-indol-1-yl-5-methoxypyrimidin-2-amine (CID 135203661) is 4-indol-1-yl-5-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-indol-1-yl-5-methoxypyrimidin-2-amine?
The canonical SMILES for 4-indol-1-yl-5-methoxypyrimidin-2-amine is COc1cnc(N)nc1-n1ccc2ccccc21.
What is the InChIKey of 4-indol-1-yl-5-methoxypyrimidin-2-amine?
The InChIKey is GFRRUTHDHOVXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-18-11-8-15-13(14)16-12(11)17-7-6-9-4-2-3-5-10(9)17/h2-8H,1H3,(H2,14,15,16).
What are the key properties of 4-indol-1-yl-5-methoxypyrimidin-2-amine?
4-indol-1-yl-5-methoxypyrimidin-2-amine has a molecular weight of 240.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-5-methoxypyrimidin-2-amine is sourced from PubChem (CID 135203661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).