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

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Related Compounds

[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine
CID 10022738
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 10091185
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine
CID 10090332
N-ethyl-4-methyl-5-(2-(4-(piperazin-1-yl)phenylamino)pyrimidin-4-yl)thiazol-2-amine
CID 24752189
N-phenyl-6-[(2-pyridinylthio)methyl]-1,3,5-triazine-2,4-diamine
CID 668614
4-Amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile
CID 2726869
(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]acetonitrile
CID 11157555
(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]acetonitrile
CID 11181791
(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]acetonitrile
CID 11250243
(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
CID 11284854
(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]acetonitrile
CID 11353763
(2Z)-2-[2-(3-aminopropylamino)pyrimidin-4-yl]-2-(3H-1,3-benzothiazol-2-ylidene)acetonitrile
CID 11478422

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).