N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine

C20H19N5O — CID 3233924

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ccnc(-c4cccnc4)n3)c2c1
InChIInChI=1S/C20H19N5O/c1-26-16-4-5-18-17(11-16)14(13-24-18)6-9-22-19-7-10-23-20(25-19)15-3-2-8-21-12-15/h2-5,7-8,10-13,24H,6,9H2,1H3,(H,22,23,25)
InChIKeyCTMPBJZQZKMWCN-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 3233924) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID3233924
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ccnc(-c4cccnc4)n3)c2c1
InChIInChI=1S/C20H19N5O/c1-26-16-4-5-18-17(11-16)14(13-24-18)6-9-22-19-7-10-23-20(25-19)15-3-2-8-21-12-15/h2-5,7-8,10-13,24H,6,9H2,1H3,(H,22,23,25)
InChIKeyCTMPBJZQZKMWCN-UHFFFAOYSA-N
XLogP3.68
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine (CID 3233924) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine is COc1ccc2[nH]cc(CCNc3ccnc(-c4cccnc4)n3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is CTMPBJZQZKMWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-26-16-4-5-18-17(11-16)14(13-24-18)6-9-22-19-7-10-23-20(25-19)15-3-2-8-21-12-15/h2-5,7-8,10-13,24H,6,9H2,1H3,(H,22,23,25).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 345.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 3233924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).