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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Related Compounds

3-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 145496921
N-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
CID 69225261
5-chloro-4-N-(3-methoxyphenyl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 118709980
4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 90410534
[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(oxazinan-2-yl)methanone
CID 42512088
3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[(3S)-2-oxoazepan-3-yl]benzamide
CID 42287476
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidin-2-amine
CID 71201555
N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589560
7-ethoxy-N-(3-ethynylphenyl)-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine
CID 58896641
2-N-(1-methylsulfonylpiperidin-4-yl)-6-(pyridin-2-ylmethoxy)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 58040425
N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 45191105
4-N-(2-methyl-1H-indol-5-yl)-2-N-[3-(1-sulfanylpiperidin-4-yl)oxyphenyl]pyrimidine-2,4-diamine
CID 145496907

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).