3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile

C16H24N6S — CID 146027019

IUPAC3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile
SMILESCN(C)CCCN(C)c1nc(N(C)CCC#N)c2sccc2n1
InChIInChI=1S/C16H24N6S/c1-20(2)9-6-11-22(4)16-18-13-7-12-23-14(13)15(19-16)21(3)10-5-8-17/h7,12H,5-6,9-11H2,1-4H3
InChIKeyJNFSCEZOWFOZJC-UHFFFAOYSA-N
MW332.48 g/mol
LogP2.43
Rot. Bonds8

About 3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile

3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile (PubChem CID 146027019) has the molecular formula C16H24N6S and a molecular weight of 332.48 g/mol. Its IUPAC name is 3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile
PubChem CID146027019
Molecular FormulaC16H24N6S
Molecular Weight332.48 g/mol
Exact Mass332.18
IUPAC Name3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile
SMILESCN(C)CCCN(C)c1nc(N(C)CCC#N)c2sccc2n1
InChIInChI=1S/C16H24N6S/c1-20(2)9-6-11-22(4)16-18-13-7-12-23-14(13)15(19-16)21(3)10-5-8-17/h7,12H,5-6,9-11H2,1-4H3
InChIKeyJNFSCEZOWFOZJC-UHFFFAOYSA-N
XLogP2.43
TPSA59.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile with MolForge

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Related Compounds

4-(Piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 2760428
2-(Methylsulfanyl)-4-morpholinothieno[3,2-d]pyrimidine
CID 1481012
3-[methyl-[2-[methyl-(1-Methylpiperidin-4-Yl)amino]thieno[3,2-D]pyrimidin-4-Yl]amino]propanenitrile
CID 75277375
3-[Methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
CID 146027021
3-[[2-[(1-Ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
CID 146027022
3-[[6-~{Tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
CID 146027024
6-Tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine
CID 2809060
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-dimethylthieno[3,2-d]pyrimidin-2-amine
CID 9814538
2-Ethyl-4-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine
CID 9834888
N,N-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 9925574
2-(2-Methylphenylamino)-4-(N-methylphenylamino)thieno[3.2-d]pyrimidine
CID 10066220
2,4-Bis(N-methylphenylamino)thieno[3,2-d]pyrimidine
CID 10315630

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile?
The IUPAC name of 3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile (CID 146027019) is 3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile.
What is the SMILES notation for 3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile?
The canonical SMILES for 3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile is CN(C)CCCN(C)c1nc(N(C)CCC#N)c2sccc2n1.
What is the InChIKey of 3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile?
The InChIKey is JNFSCEZOWFOZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6S/c1-20(2)9-6-11-22(4)16-18-13-7-12-23-14(13)15(19-16)21(3)10-5-8-17/h7,12H,5-6,9-11H2,1-4H3.
What are the key properties of 3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile?
3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile has a molecular weight of 332.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(dimethylamino)propyl-methylamino]thieno[3,2-d]pyrimidin-4-yl]-methylamino]propanenitrile is sourced from PubChem (CID 146027019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).