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

C13H18N4S — CID 103327615

IUPAC4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCCC2(C)C)c2ccsc2n1
InChIInChI=1S/C13H18N4S/c1-13(2)6-4-7-17(13)10-9-5-8-18-11(9)16-12(14-3)15-10/h5,8H,4,6-7H2,1-3H3,(H,14,15,16)
InChIKeyRONWIKOVJPBNIZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.11
Rot. Bonds2

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

4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103327615) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103327615
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCCC2(C)C)c2ccsc2n1
InChIInChI=1S/C13H18N4S/c1-13(2)6-4-7-17(13)10-9-5-8-18-11(9)16-12(14-3)15-10/h5,8H,4,6-7H2,1-3H3,(H,14,15,16)
InChIKeyRONWIKOVJPBNIZ-UHFFFAOYSA-N
XLogP3.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 107460148
4-(3,3-diethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103329016
N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327477
5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
CID 80828943
N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327467
1-[4-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 103323755
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-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323884
4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327794
4-(2,4-dimethylpiperidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327188
N-methyl-4-(2-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103330394
4-(2-ethylmorpholin-4-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325050

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 103327615) is 4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(N2CCCC2(C)C)c2ccsc2n1.
What is the InChIKey of 4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is RONWIKOVJPBNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-13(2)6-4-7-17(13)10-9-5-8-18-11(9)16-12(14-3)15-10/h5,8H,4,6-7H2,1-3H3,(H,14,15,16).
What are the key properties of 4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103327615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).