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

C19H18N4O2 — CID 3233873

IUPAC5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncncc3-c3ccoc3)c2c1
InChIInChI=1S/C19H18N4O2/c1-24-15-2-3-18-16(8-15)13(9-22-18)4-6-21-19-17(10-20-12-23-19)14-5-7-25-11-14/h2-3,5,7-12,22H,4,6H2,1H3,(H,20,21,23)
InChIKeyUIUWSOROOZKWMI-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.88
Rot. Bonds6

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

5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 3233873) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID3233873
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncncc3-c3ccoc3)c2c1
InChIInChI=1S/C19H18N4O2/c1-24-15-2-3-18-16(8-15)13(9-22-18)4-6-21-19-17(10-20-12-23-19)14-5-7-25-11-14/h2-3,5,7-12,22H,4,6H2,1H3,(H,20,21,23)
InChIKeyUIUWSOROOZKWMI-UHFFFAOYSA-N
XLogP3.88
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine (CID 3233873) is 5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine is COc1ccc2[nH]cc(CCNc3ncncc3-c3ccoc3)c2c1.
What is the InChIKey of 5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is UIUWSOROOZKWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-24-15-2-3-18-16(8-15)13(9-22-18)4-6-21-19-17(10-20-12-23-19)14-5-7-25-11-14/h2-3,5,7-12,22H,4,6H2,1H3,(H,20,21,23).
What are the key properties of 5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 334.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 3233873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).