N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline

C20H28N6O3S — CID 163305256

IUPACN,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline
SMILESCN(C)c1ccc(-c2ccnc(N3CCN(S(=O)(=O)N4CCOCC4)CC3)n2)cc1
InChIInChI=1S/C20H28N6O3S/c1-23(2)18-5-3-17(4-6-18)19-7-8-21-20(22-19)24-9-11-25(12-10-24)30(27,28)26-13-15-29-16-14-26/h3-8H,9-16H2,1-2H3
InChIKeyWVGCOAGEGVZFBO-UHFFFAOYSA-N
MW432.55 g/mol
LogP0.91
Rot. Bonds5

About N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline

N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline (PubChem CID 163305256) has the molecular formula C20H28N6O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline
PubChem CID163305256
Molecular FormulaC20H28N6O3S
Molecular Weight432.55 g/mol
Exact Mass432.19
IUPAC NameN,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline
SMILESCN(C)c1ccc(-c2ccnc(N3CCN(S(=O)(=O)N4CCOCC4)CC3)n2)cc1
InChIInChI=1S/C20H28N6O3S/c1-23(2)18-5-3-17(4-6-18)19-7-8-21-20(22-19)24-9-11-25(12-10-24)30(27,28)26-13-15-29-16-14-26/h3-8H,9-16H2,1-2H3
InChIKeyWVGCOAGEGVZFBO-UHFFFAOYSA-N
XLogP0.91
TPSA82.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline (CID 163305256) is N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline is CN(C)c1ccc(-c2ccnc(N3CCN(S(=O)(=O)N4CCOCC4)CC3)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline?
The InChIKey is WVGCOAGEGVZFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3S/c1-23(2)18-5-3-17(4-6-18)19-7-8-21-20(22-19)24-9-11-25(12-10-24)30(27,28)26-13-15-29-16-14-26/h3-8H,9-16H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline?
N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline has a molecular weight of 432.55 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline is sourced from PubChem (CID 163305256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).