2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile

C15H15N5S — CID 141414258

IUPAC2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccc(N3CCNCC3)cc2)n1
InChIInChI=1S/C15H15N5S/c16-11-12-5-6-18-15(19-12)21-14-3-1-13(2-4-14)20-9-7-17-8-10-20/h1-6,17H,7-10H2
InChIKeyZJHFFODNSDZDEY-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.91
Rot. Bonds3

About 2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile

2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile (PubChem CID 141414258) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile
PubChem CID141414258
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccc(N3CCNCC3)cc2)n1
InChIInChI=1S/C15H15N5S/c16-11-12-5-6-18-15(19-12)21-14-3-1-13(2-4-14)20-9-7-17-8-10-20/h1-6,17H,7-10H2
InChIKeyZJHFFODNSDZDEY-UHFFFAOYSA-N
XLogP1.91
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile 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

4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride
CID 154825612
2-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]sulfanylpyrimidine-4-carbonitrile
CID 118499435
4-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 147694887
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551511
2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carbonitrile
CID 107551304
2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile
CID 107552913
2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile
CID 107551327
2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine
CID 168514045
2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163356398
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551401
2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile
CID 107551300
2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile (CID 141414258) is 2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile is N#Cc1ccnc(Sc2ccc(N3CCNCC3)cc2)n1.
What is the InChIKey of 2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile?
The InChIKey is ZJHFFODNSDZDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c16-11-12-5-6-18-15(19-12)21-14-3-1-13(2-4-14)20-9-7-17-8-10-20/h1-6,17H,7-10H2.
What are the key properties of 2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile?
2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile has a molecular weight of 297.39 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile is sourced from PubChem (CID 141414258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).