N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine

C20H17N5OS — CID 95800143

IUPACN-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
SMILESCOc1cccc(CNc2ncc(-c3cnccn3)c(-c3cccs3)n2)c1
InChIInChI=1S/C20H17N5OS/c1-26-15-5-2-4-14(10-15)11-23-20-24-12-16(17-13-21-7-8-22-17)19(25-20)18-6-3-9-27-18/h2-10,12-13H,11H2,1H3,(H,23,24,25)
InChIKeyLAZHJXATDAIETM-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.28
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine

N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine (PubChem CID 95800143) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
PubChem CID95800143
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
SMILESCOc1cccc(CNc2ncc(-c3cnccn3)c(-c3cccs3)n2)c1
InChIInChI=1S/C20H17N5OS/c1-26-15-5-2-4-14(10-15)11-23-20-24-12-16(17-13-21-7-8-22-17)19(25-20)18-6-3-9-27-18/h2-10,12-13H,11H2,1H3,(H,23,24,25)
InChIKeyLAZHJXATDAIETM-UHFFFAOYSA-N
XLogP4.28
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine (CID 95800143) is N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine is COc1cccc(CNc2ncc(-c3cnccn3)c(-c3cccs3)n2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is LAZHJXATDAIETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-26-15-5-2-4-14(10-15)11-23-20-24-12-16(17-13-21-7-8-22-17)19(25-20)18-6-3-9-27-18/h2-10,12-13H,11H2,1H3,(H,23,24,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 375.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 95800143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).