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

C13H16ClN5OS — CID 18507665

IUPAC2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride
SMILESCN(C)CCOc1nc(N)nc(-c2cccs2)c1C#N.Cl
InChIInChI=1S/C13H15N5OS.ClH/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);1H
InChIKeyNIKBCLFSJVSYEF-UHFFFAOYSA-N
MW325.83 g/mol
LogP2.02
Rot. Bonds5

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

2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride (PubChem CID 18507665) has the molecular formula C13H16ClN5OS and a molecular weight of 325.83 g/mol. Its IUPAC name is 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride
PubChem CID18507665
Molecular FormulaC13H16ClN5OS
Molecular Weight325.83 g/mol
Exact Mass325.08
IUPAC Name2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride
SMILESCN(C)CCOc1nc(N)nc(-c2cccs2)c1C#N.Cl
InChIInChI=1S/C13H15N5OS.ClH/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);1H
InChIKeyNIKBCLFSJVSYEF-UHFFFAOYSA-N
XLogP2.02
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.83
LogP ≤ 52.02
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
CID 18507623
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
5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 46736490
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride?
The IUPAC name of 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride (CID 18507665) is 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride.
What is the SMILES notation for 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride?
The canonical SMILES for 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride is CN(C)CCOc1nc(N)nc(-c2cccs2)c1C#N.Cl.
What is the InChIKey of 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride?
The InChIKey is NIKBCLFSJVSYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS.ClH/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);1H.
What are the key properties of 2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride?
2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride has a molecular weight of 325.83 g/mol, XLogP of 2.02, 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;hydrochloride is sourced from PubChem (CID 18507665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).