[3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide

C22H24N4O3S — CID 145497885

IUPAC[3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide
SMILESNS(=O)Cc1cccc(Nc2cc(-c3ccccc3OCC3CCCO3)ncn2)c1
InChIInChI=1S/C22H24N4O3S/c23-30(27)14-16-5-3-6-17(11-16)26-22-12-20(24-15-25-22)19-8-1-2-9-21(19)29-13-18-7-4-10-28-18/h1-3,5-6,8-9,11-12,15,18H,4,7,10,13-14,23H2,(H,24,25,26)
InChIKeyXGVMSLOSZPMPNL-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.57
Rot. Bonds8

About [3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide

[3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide (PubChem CID 145497885) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is [3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide.

Molecular Properties

Compound Name[3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide
PubChem CID145497885
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name[3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide
SMILESNS(=O)Cc1cccc(Nc2cc(-c3ccccc3OCC3CCCO3)ncn2)c1
InChIInChI=1S/C22H24N4O3S/c23-30(27)14-16-5-3-6-17(11-16)26-22-12-20(24-15-25-22)19-8-1-2-9-21(19)29-13-18-7-4-10-28-18/h1-3,5-6,8-9,11-12,15,18H,4,7,10,13-14,23H2,(H,24,25,26)
InChIKeyXGVMSLOSZPMPNL-UHFFFAOYSA-N
XLogP3.57
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide with MolForge

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Related Compounds

N-[3-(methylsulfanylmethyl)phenyl]-6-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-dihydropyrimidin-4-amine
CID 145497785
6-(2-phenylmethoxyphenyl)-N-[3-[(propan-2-ylamino)sulfanylmethyl]phenyl]pyrimidin-4-amine
CID 145497819
N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine
CID 97018034
1-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propylmethanesulfonamide
CID 58550533
N-[3-[(tert-butylamino)sulfanylmethyl]phenyl]-6-(2-ethoxyphenyl)pyrimidin-4-amine
CID 145497735
4-[5-[2-(oxolan-2-ylmethoxy)phenyl]-1H-pyrazol-3-yl]aniline
CID 54853365
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857362
[5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol
CID 54847413
N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 18103402
N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112857317
5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65454257

Frequently Asked Questions

What is the IUPAC name of [3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide?
The IUPAC name of [3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide (CID 145497885) is [3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide.
What is the SMILES notation for [3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide?
The canonical SMILES for [3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide is NS(=O)Cc1cccc(Nc2cc(-c3ccccc3OCC3CCCO3)ncn2)c1.
What is the InChIKey of [3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide?
The InChIKey is XGVMSLOSZPMPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c23-30(27)14-16-5-3-6-17(11-16)26-22-12-20(24-15-25-22)19-8-1-2-9-21(19)29-13-18-7-4-10-28-18/h1-3,5-6,8-9,11-12,15,18H,4,7,10,13-14,23H2,(H,24,25,26).
What are the key properties of [3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide?
[3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide has a molecular weight of 424.53 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-[2-(oxolan-2-ylmethoxy)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfinamide is sourced from PubChem (CID 145497885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).