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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidine
CID 95857470
N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 95800139
N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 95800147
1-(5-methoxy-2-pyrazin-2-ylphenyl)-N-methylmethanamine
CID 114077969
2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80797043
2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92595562
4-N-[(3-methoxyphenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80773950
2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320788
N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 95801226
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893824
N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92577605
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291

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).