N-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine

C20H20N4OS — CID 146197211

IUPACN-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCCOc1cc2c(NC(C)c3cccc4sccc34)nc(C)nc2cn1
InChIInChI=1S/C20H20N4OS/c1-4-25-19-10-16-17(11-21-19)23-13(3)24-20(16)22-12(2)14-6-5-7-18-15(14)8-9-26-18/h5-12H,4H2,1-3H3,(H,22,23,24)
InChIKeyFFNSPMCDLPGUJH-UHFFFAOYSA-N
MW364.47 g/mol
LogP5.12
Rot. Bonds5

About N-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine

N-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 146197211) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID146197211
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCCOc1cc2c(NC(C)c3cccc4sccc34)nc(C)nc2cn1
InChIInChI=1S/C20H20N4OS/c1-4-25-19-10-16-17(11-21-19)23-13(3)24-20(16)22-12(2)14-6-5-7-18-15(14)8-9-26-18/h5-12H,4H2,1-3H3,(H,22,23,24)
InChIKeyFFNSPMCDLPGUJH-UHFFFAOYSA-N
XLogP5.12
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine (CID 146197211) is N-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine is CCOc1cc2c(NC(C)c3cccc4sccc34)nc(C)nc2cn1.
What is the InChIKey of N-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is FFNSPMCDLPGUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-4-25-19-10-16-17(11-21-19)23-13(3)24-20(16)22-12(2)14-6-5-7-18-15(14)8-9-26-18/h5-12H,4H2,1-3H3,(H,22,23,24).
What are the key properties of N-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine?
N-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 364.47 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-4-yl)ethyl]-6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146197211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).