4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine

C19H26N6O2S — CID 54582175

IUPAC4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
SMILESO=S(=O)(c1ccc(-c2ccnc(NC3CCNCC3)n2)cc1)N1CCNCC1
InChIInChI=1S/C19H26N6O2S/c26-28(27,25-13-11-21-12-14-25)17-3-1-15(2-4-17)18-7-10-22-19(24-18)23-16-5-8-20-9-6-16/h1-4,7,10,16,20-21H,5-6,8-9,11-14H2,(H,22,23,24)
InChIKeyIXMFEZPRVSMTLE-UHFFFAOYSA-N
MW402.52 g/mol
LogP0.90
Rot. Bonds5

About 4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine

4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine (PubChem CID 54582175) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
PubChem CID54582175
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC Name4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
SMILESO=S(=O)(c1ccc(-c2ccnc(NC3CCNCC3)n2)cc1)N1CCNCC1
InChIInChI=1S/C19H26N6O2S/c26-28(27,25-13-11-21-12-14-25)17-3-1-15(2-4-17)18-7-10-22-19(24-18)23-16-5-8-20-9-6-16/h1-4,7,10,16,20-21H,5-6,8-9,11-14H2,(H,22,23,24)
InChIKeyIXMFEZPRVSMTLE-UHFFFAOYSA-N
XLogP0.90
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine (CID 54582175) is 4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine is O=S(=O)(c1ccc(-c2ccnc(NC3CCNCC3)n2)cc1)N1CCNCC1.
What is the InChIKey of 4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is IXMFEZPRVSMTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S/c26-28(27,25-13-11-21-12-14-25)17-3-1-15(2-4-17)18-7-10-22-19(24-18)23-16-5-8-20-9-6-16/h1-4,7,10,16,20-21H,5-6,8-9,11-14H2,(H,22,23,24).
What are the key properties of 4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine?
4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 402.52 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperazin-1-ylsulfonylphenyl)-N-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 54582175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).