2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile

C14H21N5S — CID 106972429

IUPAC2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2cc(SC)ncn2)CC1
InChIInChI=1S/C14H21N5S/c1-3-4-12(10-15)18-5-7-19(8-6-18)13-9-14(20-2)17-11-16-13/h9,11-12H,3-8H2,1-2H3
InChIKeyDWRWCFDUXQXIPK-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.01
Rot. Bonds5

About 2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile

2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile (PubChem CID 106972429) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile
PubChem CID106972429
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2cc(SC)ncn2)CC1
InChIInChI=1S/C14H21N5S/c1-3-4-12(10-15)18-5-7-19(8-6-18)13-9-14(20-2)17-11-16-13/h9,11-12H,3-8H2,1-2H3
InChIKeyDWRWCFDUXQXIPK-UHFFFAOYSA-N
XLogP2.01
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile
CID 63343513
N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 106973293
2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile
CID 63343858
4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine
CID 106973347
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile
CID 103582224
4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine
CID 106973777
2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile
CID 114527876
2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile
CID 114570663
2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile
CID 114786284
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile
CID 136973053
3-[4-(6-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 106972383
N-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine
CID 106973300

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile (CID 106972429) is 2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(c2cc(SC)ncn2)CC1.
What is the InChIKey of 2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile?
The InChIKey is DWRWCFDUXQXIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-3-4-12(10-15)18-5-7-19(8-6-18)13-9-14(20-2)17-11-16-13/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile?
2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile has a molecular weight of 291.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 106972429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).