4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

C16H24N4S — CID 103329896

IUPAC4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCC1CCCCCN1c1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C16H24N4S/c1-4-12-8-6-5-7-9-20(12)14-13-10-11(2)21-15(13)19-16(17-3)18-14/h10,12H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyBHKLNIRSFLJJQB-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.20
Rot. Bonds3

About 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103329896) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103329896
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCC1CCCCCN1c1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C16H24N4S/c1-4-12-8-6-5-7-9-20(12)14-13-10-11(2)21-15(13)19-16(17-3)18-14/h10,12H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyBHKLNIRSFLJJQB-UHFFFAOYSA-N
XLogP4.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylpyrrolidin-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103325400
[1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol
CID 103325518
2-chloro-6-methyl-4-(2-propylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 103322314
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
4-(2-ethylthiomorpholin-4-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103330530
4-(2-ethylmorpholin-4-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103325054
4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103323872
1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 103327446
4-(3,4-dimethylpyrrolidin-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103328825
1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide
CID 103332954
[4-(2,3-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103333376
N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327472

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (CID 103329896) is 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is CCC1CCCCCN1c1nc(NC)nc2sc(C)cc12.
What is the InChIKey of 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is BHKLNIRSFLJJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-12-8-6-5-7-9-20(12)14-13-10-11(2)21-15(13)19-16(17-3)18-14/h10,12H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 304.46 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103329896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).