5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine

C14H21N5S — CID 43600388

IUPAC5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCCN3CCNCC3)c2c1C
InChIInChI=1S/C14H21N5S/c1-10-11(2)20-14-12(10)13(17-9-18-14)16-5-8-19-6-3-15-4-7-19/h9,15H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyLMJMPYDMGDQKEP-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.63
Rot. Bonds4

About 5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 43600388) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID43600388
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCCN3CCNCC3)c2c1C
InChIInChI=1S/C14H21N5S/c1-10-11(2)20-14-12(10)13(17-9-18-14)16-5-8-19-6-3-15-4-7-19/h9,15H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyLMJMPYDMGDQKEP-UHFFFAOYSA-N
XLogP1.63
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 55830573
5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 114045681
6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 66325131
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 724915
3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione
CID 72894637
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol
CID 104594374
5,6-dimethyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60902999
4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid
CID 114214142
5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 154877843
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 52677943
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 43600388) is 5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCCN3CCNCC3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LMJMPYDMGDQKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-10-11(2)20-14-12(10)13(17-9-18-14)16-5-8-19-6-3-15-4-7-19/h9,15H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43600388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).