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

C15H23N5S — CID 52677951

IUPACN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCN([C@@H](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)/t12-/m0/s1
InChIKeyHFGNWSMIJIIPLJ-LBPRGKRZSA-N
MW305.45 g/mol
LogP2.13
Rot. Bonds5

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

N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 52677951) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID52677951
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCN([C@@H](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)/t12-/m0/s1
InChIKeyHFGNWSMIJIIPLJ-LBPRGKRZSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (CID 52677951) is N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is CCN1CCN([C@@H](C)CNc2ncnc3sccc23)CC1.
What is the InChIKey of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HFGNWSMIJIIPLJ-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(2S)-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-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 52677951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).