N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine

C15H23N5S — CID 71684939

IUPACN-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCN(C(C)CNc2ncnc3sccc23)CC1
InChIInChI=1S/C15H23N5S/c1-3-19-5-7-20(8-6-19)12(2)10-16-14-13-4-9-21-15(13)18-11-17-14/h4,9,11-12H,3,5-8,10H2,1-2H3,(H,16,17,18)
InChIKeyHFGNWSMIJIIPLJ-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.13
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine

N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 71684939) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID71684939
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCN(C(C)CNc2ncnc3sccc23)CC1
InChIInChI=1S/C15H23N5S/c1-3-19-5-7-20(8-6-19)12(2)10-16-14-13-4-9-21-15(13)18-11-17-14/h4,9,11-12H,3,5-8,10H2,1-2H3,(H,16,17,18)
InChIKeyHFGNWSMIJIIPLJ-UHFFFAOYSA-N
XLogP2.13
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-{Thieno[2,3-d]pyrimidin-4-yl}piperazine
CID 16768198
4-Aminothieno(2,3-d)pyrimidine
CID 4269486
4-Chloro-2-(piperazin-1-yl)thieno[2,3-d]pyrimidine
CID 46228434
N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 3385586
N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 3469075
2-(4-{Thieno[2,3-d]pyrimidin-4-yl}piperazin-1-yl)ethan-1-ol
CID 2537688
N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2549953
6-ethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 45488448
1-[3-(Thieno[2,3-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one
CID 5161259
N,N-diethylthieno[2,3-d]pyrimidin-4-amine
CID 2808589
5-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 44379610
6-Bromo-4-(4-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)thieno[2,3-d]pyrimidine
CID 51001388

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (CID 71684939) is N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is CCN1CCN(C(C)CNc2ncnc3sccc23)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HFGNWSMIJIIPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-3-19-5-7-20(8-6-19)12(2)10-16-14-13-4-9-21-15(13)18-11-17-14/h4,9,11-12H,3,5-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71684939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).