1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine

C16H19N5S — CID 141314561

IUPAC1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine
SMILESCN(C)CCNc1ccc(Nc2ncc3sccc3n2)cc1
InChIInChI=1S/C16H19N5S/c1-21(2)9-8-17-12-3-5-13(6-4-12)19-16-18-11-15-14(20-16)7-10-22-15/h3-7,10-11,17H,8-9H2,1-2H3,(H,18,19,20)
InChIKeyOOWDFINEYPPCJN-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.41
Rot. Bonds6

About 1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine

1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine (PubChem CID 141314561) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine
PubChem CID141314561
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine
SMILESCN(C)CCNc1ccc(Nc2ncc3sccc3n2)cc1
InChIInChI=1S/C16H19N5S/c1-21(2)9-8-17-12-3-5-13(6-4-12)19-16-18-11-15-14(20-16)7-10-22-15/h3-7,10-11,17H,8-9H2,1-2H3,(H,18,19,20)
InChIKeyOOWDFINEYPPCJN-UHFFFAOYSA-N
XLogP3.41
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine with MolForge

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Related Compounds

N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-amine
CID 141299425
N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 4665727
1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine
CID 154515167
4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 24986332
N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine
CID 155032361
N-[3-fluoro-4-(4-methylsulfonylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidin-2-amine
CID 141314550
N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine
CID 166395521
N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine
CID 163723742
N-(1-benzothiophen-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114525182
4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653412
3-N-(4-chlorophenyl)-5-N-[2-(dimethylamino)ethyl]-1,2,4-triazine-3,5-diamine
CID 112944811
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112912839

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine (CID 141314561) is 1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine is CN(C)CCNc1ccc(Nc2ncc3sccc3n2)cc1.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine?
The InChIKey is OOWDFINEYPPCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-21(2)9-8-17-12-3-5-13(6-4-12)19-16-18-11-15-14(20-16)7-10-22-15/h3-7,10-11,17H,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine?
1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine has a molecular weight of 313.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 141314561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).