2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile

C15H19N5S — CID 63343858

IUPAC2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile
SMILESCCCC(C#N)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C15H19N5S/c1-2-3-12(10-16)19-5-7-20(8-6-19)14-13-4-9-21-15(13)18-11-17-14/h4,9,11-12H,2-3,5-8H2,1H3
InChIKeyDARDNQPNLXJBAL-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.51
Rot. Bonds4

About 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile

2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile (PubChem CID 63343858) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile
PubChem CID63343858
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile
SMILESCCCC(C#N)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C15H19N5S/c1-2-3-12(10-16)19-5-7-20(8-6-19)14-13-4-9-21-15(13)18-11-17-14/h4,9,11-12H,2-3,5-8H2,1H3
InChIKeyDARDNQPNLXJBAL-UHFFFAOYSA-N
XLogP2.51
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzonitrile
CID 9109446
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile
CID 103582224
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 163343513
(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842603
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
(1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol
CID 95318735
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 26448675
4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 86921884

Frequently Asked Questions

What is the IUPAC name of 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile?
The IUPAC name of 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile (CID 63343858) is 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile.
What is the SMILES notation for 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile?
The canonical SMILES for 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile is CCCC(C#N)N1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile?
The InChIKey is DARDNQPNLXJBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-2-3-12(10-16)19-5-7-20(8-6-19)14-13-4-9-21-15(13)18-11-17-14/h4,9,11-12H,2-3,5-8H2,1H3.
What are the key properties of 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile?
2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile has a molecular weight of 301.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile is sourced from PubChem (CID 63343858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).