4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine

C22H25N5S — CID 19149748

IUPAC4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine
SMILESCc1cccc(N2CCN(c3ncnc(Sc4ccccc4)c3N)CC2)c1C
InChIInChI=1S/C22H25N5S/c1-16-7-6-10-19(17(16)2)26-11-13-27(14-12-26)21-20(23)22(25-15-24-21)28-18-8-4-3-5-9-18/h3-10,15H,11-14,23H2,1-2H3
InChIKeyHUKHTDFACHOUTA-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.15
Rot. Bonds4

About 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine

4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine (PubChem CID 19149748) has the molecular formula C22H25N5S and a molecular weight of 391.54 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine
PubChem CID19149748
Molecular FormulaC22H25N5S
Molecular Weight391.54 g/mol
Exact Mass391.18
IUPAC Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine
SMILESCc1cccc(N2CCN(c3ncnc(Sc4ccccc4)c3N)CC2)c1C
InChIInChI=1S/C22H25N5S/c1-16-7-6-10-19(17(16)2)26-11-13-27(14-12-26)21-20(23)22(25-15-24-21)28-18-8-4-3-5-9-18/h3-10,15H,11-14,23H2,1-2H3
InChIKeyHUKHTDFACHOUTA-UHFFFAOYSA-N
XLogP4.15
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
CID 19138241
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140378
4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19136465
4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22540364
4-(4-chlorophenyl)sulfanyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidine
CID 23488609
N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152192
4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22546918
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19147620
4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19136527
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539422
4-N-(2,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19149844
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142003

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine?
The IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine (CID 19149748) is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine?
The canonical SMILES for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine is Cc1cccc(N2CCN(c3ncnc(Sc4ccccc4)c3N)CC2)c1C.
What is the InChIKey of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine?
The InChIKey is HUKHTDFACHOUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5S/c1-16-7-6-10-19(17(16)2)26-11-13-27(14-12-26)21-20(23)22(25-15-24-21)28-18-8-4-3-5-9-18/h3-10,15H,11-14,23H2,1-2H3.
What are the key properties of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine?
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine has a molecular weight of 391.54 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 19149748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).