N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine

C16H20N4O3S — CID 69228289

IUPACN-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCC(Oc2cccc(Nc3ncccn3)c2)CC1
InChIInChI=1S/C16H20N4O3S/c1-24(21,22)20-10-6-14(7-11-20)23-15-5-2-4-13(12-15)19-16-17-8-3-9-18-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,17,18,19)
InChIKeyIMOOGMXLRMIYKH-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.02
Rot. Bonds5

About N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine

N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine (PubChem CID 69228289) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine
PubChem CID69228289
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCC(Oc2cccc(Nc3ncccn3)c2)CC1
InChIInChI=1S/C16H20N4O3S/c1-24(21,22)20-10-6-14(7-11-20)23-15-5-2-4-13(12-15)19-16-17-8-3-9-18-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,17,18,19)
InChIKeyIMOOGMXLRMIYKH-UHFFFAOYSA-N
XLogP2.02
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine?
The IUPAC name of N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine (CID 69228289) is N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine?
The canonical SMILES for N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine is CS(=O)(=O)N1CCC(Oc2cccc(Nc3ncccn3)c2)CC1.
What is the InChIKey of N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine?
The InChIKey is IMOOGMXLRMIYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-24(21,22)20-10-6-14(7-11-20)23-15-5-2-4-13(12-15)19-16-17-8-3-9-18-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,17,18,19).
What are the key properties of N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine?
N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine has a molecular weight of 348.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine is sourced from PubChem (CID 69228289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).