4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine

C15H19N5S — CID 19138241

IUPAC4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
SMILESCN1CCN(c2ncnc(Sc3ccccc3)c2N)CC1
InChIInChI=1S/C15H19N5S/c1-19-7-9-20(10-8-19)14-13(16)15(18-11-17-14)21-12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3
InChIKeyJEJFFBNKDPNWEY-UHFFFAOYSA-N
MW301.42 g/mol
LogP1.96
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine

4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine (PubChem CID 19138241) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
PubChem CID19138241
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
SMILESCN1CCN(c2ncnc(Sc3ccccc3)c2N)CC1
InChIInChI=1S/C15H19N5S/c1-19-7-9-20(10-8-19)14-13(16)15(18-11-17-14)21-12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3
InChIKeyJEJFFBNKDPNWEY-UHFFFAOYSA-N
XLogP1.96
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine
CID 19149748
4-(4-methylpiperazin-1-yl)-5-nitro-6-phenylsulfanylpyrimidine
CID 23490142
4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
CID 19140155
4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19136527
4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
CID 133365798
6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19138216
4-chloro-6-phenylsulfanylpyrimidin-5-amine
CID 11637278
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 19138163
4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine
CID 19149700
6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine
CID 19143766
4-(4-benzylpiperazin-1-yl)-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19139396
2-[4-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 23492649

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine (CID 19138241) is 4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine is CN1CCN(c2ncnc(Sc3ccccc3)c2N)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine?
The InChIKey is JEJFFBNKDPNWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-19-7-9-20(10-8-19)14-13(16)15(18-11-17-14)21-12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine?
4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine has a molecular weight of 301.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 19138241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).