2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile

C13H15N5OS — CID 18507623

IUPAC2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile
SMILESCN(C)CCOc1nc(N)nc(-c2cccs2)c1C#N
InChIInChI=1S/C13H15N5OS/c1-18(2)5-6-19-12-9(8-14)11(16-13(15)17-12)10-4-3-7-20-10/h3-4,7H,5-6H2,1-2H3,(H2,15,16,17)
InChIKeySWYFMLFWBSDZIK-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.60
Rot. Bonds5

About 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile

2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile (PubChem CID 18507623) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile
PubChem CID18507623
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile
SMILESCN(C)CCOc1nc(N)nc(-c2cccs2)c1C#N
InChIInChI=1S/C13H15N5OS/c1-18(2)5-6-19-12-9(8-14)11(16-13(15)17-12)10-4-3-7-20-10/h3-4,7H,5-6H2,1-2H3,(H2,15,16,17)
InChIKeySWYFMLFWBSDZIK-UHFFFAOYSA-N
XLogP1.60
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride
CID 18507665
2-amino-4-[(4-chlorophenyl)methylsulfanyl]-6-thiophen-2-ylpyrimidine-5-carbonitrile
CID 1484452
6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25074121
4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine
CID 118167317
4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
CID 155927418
2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
CID 18507302
2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177452
3-amino-6-[2-(dimethylamino)ethoxy]pyridine-2-carbonitrile
CID 103469668
6-amino-4-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile
CID 118037497
3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile
CID 61098653
2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 10969383
2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile
CID 94281991

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile (CID 18507623) is 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile is CN(C)CCOc1nc(N)nc(-c2cccs2)c1C#N.
What is the InChIKey of 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile?
The InChIKey is SWYFMLFWBSDZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-18(2)5-6-19-12-9(8-14)11(16-13(15)17-12)10-4-3-7-20-10/h3-4,7H,5-6H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile?
2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile has a molecular weight of 289.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 18507623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).