4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide

C12H21N5O4S — CID 54500605

IUPAC4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)nc(OC)n1
InChIInChI=1S/C12H21N5O4S/c1-15(2)22(18,19)17-7-5-16(6-8-17)10-9-11(20-3)14-12(13-10)21-4/h9H,5-8H2,1-4H3
InChIKeyYCDGLNYFERWBGF-UHFFFAOYSA-N
MW331.40 g/mol
LogP-0.58
Rot. Bonds5

About 4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide

4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 54500605) has the molecular formula C12H21N5O4S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID54500605
Molecular FormulaC12H21N5O4S
Molecular Weight331.40 g/mol
Exact Mass331.13
IUPAC Name4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)nc(OC)n1
InChIInChI=1S/C12H21N5O4S/c1-15(2)22(18,19)17-7-5-16(6-8-17)10-9-11(20-3)14-12(13-10)21-4/h9H,5-8H2,1-4H3
InChIKeyYCDGLNYFERWBGF-UHFFFAOYSA-N
XLogP-0.58
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide (CID 54500605) is 4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide is COc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)nc(OC)n1.
What is the InChIKey of 4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is YCDGLNYFERWBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O4S/c1-15(2)22(18,19)17-7-5-16(6-8-17)10-9-11(20-3)14-12(13-10)21-4/h9H,5-8H2,1-4H3.
What are the key properties of 4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of -0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 54500605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).