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

C19H18N4O2 — CID 3234946

IUPAC6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3cc(-c4ccoc4)ncn3)c2c1
InChIInChI=1S/C19H18N4O2/c1-24-15-2-3-17-16(8-15)13(10-21-17)4-6-20-19-9-18(22-12-23-19)14-5-7-25-11-14/h2-3,5,7-12,21H,4,6H2,1H3,(H,20,22,23)
InChIKeySPFCQIWQUQIQBH-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.88
Rot. Bonds6

About 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine

6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 3234946) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID3234946
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3cc(-c4ccoc4)ncn3)c2c1
InChIInChI=1S/C19H18N4O2/c1-24-15-2-3-17-16(8-15)13(10-21-17)4-6-20-19-9-18(22-12-23-19)14-5-7-25-11-14/h2-3,5,7-12,21H,4,6H2,1H3,(H,20,22,23)
InChIKeySPFCQIWQUQIQBH-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 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine (CID 3234946) is 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine is COc1ccc2[nH]cc(CCNc3cc(-c4ccoc4)ncn3)c2c1.
What is the InChIKey of 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is SPFCQIWQUQIQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-24-15-2-3-17-16(8-15)13(10-21-17)4-6-20-19-9-18(22-12-23-19)14-5-7-25-11-14/h2-3,5,7-12,21H,4,6H2,1H3,(H,20,22,23).
What are the key properties of 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
6-(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 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 3234946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).