4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine

C13H19N5S — CID 103327794

IUPAC4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCN(C)C(C)C2)c2ccsc2n1
InChIInChI=1S/C13H19N5S/c1-9-8-18(6-5-17(9)3)11-10-4-7-19-12(10)16-13(14-2)15-11/h4,7,9H,5-6,8H2,1-3H3,(H,14,15,16)
InChIKeyONIDQHKAQSFILM-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.87
Rot. Bonds2

About 4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine

4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103327794) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103327794
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCN(C)C(C)C2)c2ccsc2n1
InChIInChI=1S/C13H19N5S/c1-9-8-18(6-5-17(9)3)11-10-4-7-19-12(10)16-13(14-2)15-11/h4,7,9H,5-6,8H2,1-3H3,(H,14,15,16)
InChIKeyONIDQHKAQSFILM-UHFFFAOYSA-N
XLogP1.87
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-(2-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103330394
N-methyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323884
N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327467
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325254
N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329872
1-[4-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 103323755
[4-(3,4,5-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103335844
4-(2-ethylmorpholin-4-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325050
[4-(4-ethyl-3-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103333711
4-(2,4-dimethylpiperidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327188
N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327477
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103326291

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 103327794) is 4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(N2CCN(C)C(C)C2)c2ccsc2n1.
What is the InChIKey of 4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is ONIDQHKAQSFILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-9-8-18(6-5-17(9)3)11-10-4-7-19-12(10)16-13(14-2)15-11/h4,7,9H,5-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of 4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 277.40 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103327794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).