5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine

C15H18ClN5O2S — CID 141202772

IUPAC5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine
SMILESCN1CCN(S(=O)(=O)c2ccccc2Nc2ncncc2Cl)CC1
InChIInChI=1S/C15H18ClN5O2S/c1-20-6-8-21(9-7-20)24(22,23)14-5-3-2-4-13(14)19-15-12(16)10-17-11-18-15/h2-5,10-11H,6-9H2,1H3,(H,17,18,19)
InChIKeyNVDHXGLYJWZIFS-UHFFFAOYSA-N
MW367.86 g/mol
LogP1.81
Rot. Bonds4

About 5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine

5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine (PubChem CID 141202772) has the molecular formula C15H18ClN5O2S and a molecular weight of 367.86 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine
PubChem CID141202772
Molecular FormulaC15H18ClN5O2S
Molecular Weight367.86 g/mol
Exact Mass367.09
IUPAC Name5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine
SMILESCN1CCN(S(=O)(=O)c2ccccc2Nc2ncncc2Cl)CC1
InChIInChI=1S/C15H18ClN5O2S/c1-20-6-8-21(9-7-20)24(22,23)14-5-3-2-4-13(14)19-15-12(16)10-17-11-18-15/h2-5,10-11H,6-9H2,1H3,(H,17,18,19)
InChIKeyNVDHXGLYJWZIFS-UHFFFAOYSA-N
XLogP1.81
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine (CID 141202772) is 5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine is CN1CCN(S(=O)(=O)c2ccccc2Nc2ncncc2Cl)CC1.
What is the InChIKey of 5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine?
The InChIKey is NVDHXGLYJWZIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2S/c1-20-6-8-21(9-7-20)24(22,23)14-5-3-2-4-13(14)19-15-12(16)10-17-11-18-15/h2-5,10-11H,6-9H2,1H3,(H,17,18,19).
What are the key properties of 5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine?
5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine has a molecular weight of 367.86 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine is sourced from PubChem (CID 141202772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).