N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide

C12H22N4O2S — CID 55044291

IUPACN-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(C)C(C)CC)cn1
InChIInChI=1S/C12H22N4O2S/c1-5-7-13-12-14-8-11(9-15-12)19(17,18)16(4)10(3)6-2/h8-10H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyWITIVAKOEUQYRN-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.72
Rot. Bonds7

About N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide

N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide (PubChem CID 55044291) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
PubChem CID55044291
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(C)C(C)CC)cn1
InChIInChI=1S/C12H22N4O2S/c1-5-7-13-12-14-8-11(9-15-12)19(17,18)16(4)10(3)6-2/h8-10H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyWITIVAKOEUQYRN-UHFFFAOYSA-N
XLogP1.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide (CID 55044291) is N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)N(C)C(C)CC)cn1.
What is the InChIKey of N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide?
The InChIKey is WITIVAKOEUQYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-7-13-12-14-8-11(9-15-12)19(17,18)16(4)10(3)6-2/h8-10H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide?
N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 55044291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).