4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine

C13H12N4O — CID 53381002

IUPAC4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine
SMILESCOc1cccc2[nH]cc(-c3ccnc(N)n3)c12
InChIInChI=1S/C13H12N4O/c1-18-11-4-2-3-10-12(11)8(7-16-10)9-5-6-15-13(14)17-9/h2-7,16H,1H3,(H2,14,15,17)
InChIKeyLMBAMOXWCSVRLU-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.22
Rot. Bonds2

About 4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine

4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine (PubChem CID 53381002) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine
PubChem CID53381002
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine
SMILESCOc1cccc2[nH]cc(-c3ccnc(N)n3)c12
InChIInChI=1S/C13H12N4O/c1-18-11-4-2-3-10-12(11)8(7-16-10)9-5-6-15-13(14)17-9/h2-7,16H,1H3,(H2,14,15,17)
InChIKeyLMBAMOXWCSVRLU-UHFFFAOYSA-N
XLogP2.22
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine (CID 53381002) is 4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine is COc1cccc2[nH]cc(-c3ccnc(N)n3)c12.
What is the InChIKey of 4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine?
The InChIKey is LMBAMOXWCSVRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-18-11-4-2-3-10-12(11)8(7-16-10)9-5-6-15-13(14)17-9/h2-7,16H,1H3,(H2,14,15,17).
What are the key properties of 4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine?
4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine has a molecular weight of 240.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 53381002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).