6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine

C20H20N4OS — CID 175954499

IUPAC6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine
SMILESCCOc1csc(-c2cc(NCCc3ccc4cc[nH]c4c3)ncn2)c1
InChIInChI=1S/C20H20N4OS/c1-2-25-16-10-19(26-12-16)18-11-20(24-13-23-18)22-7-5-14-3-4-15-6-8-21-17(15)9-14/h3-4,6,8-13,21H,2,5,7H2,1H3,(H,22,23,24)
InChIKeyBDPGNIRASIOGDL-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.74
Rot. Bonds7

About 6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine

6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine (PubChem CID 175954499) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine
PubChem CID175954499
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine
SMILESCCOc1csc(-c2cc(NCCc3ccc4cc[nH]c4c3)ncn2)c1
InChIInChI=1S/C20H20N4OS/c1-2-25-16-10-19(26-12-16)18-11-20(24-13-23-18)22-7-5-14-3-4-15-6-8-21-17(15)9-14/h3-4,6,8-13,21H,2,5,7H2,1H3,(H,22,23,24)
InChIKeyBDPGNIRASIOGDL-UHFFFAOYSA-N
XLogP4.74
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine (CID 175954499) is 6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine is CCOc1csc(-c2cc(NCCc3ccc4cc[nH]c4c3)ncn2)c1.
What is the InChIKey of 6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine?
The InChIKey is BDPGNIRASIOGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-2-25-16-10-19(26-12-16)18-11-20(24-13-23-18)22-7-5-14-3-4-15-6-8-21-17(15)9-14/h3-4,6,8-13,21H,2,5,7H2,1H3,(H,22,23,24).
What are the key properties of 6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine?
6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine has a molecular weight of 364.47 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 175954499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).