N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide

C12H22N4O2S — CID 55044432

IUPACN-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(CC)CCC)cn1
InChIInChI=1S/C12H22N4O2S/c1-4-7-13-12-14-9-11(10-15-12)19(17,18)16(6-3)8-5-2/h9-10H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyZKUBNINYVVNYAV-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.72
Rot. Bonds8

About N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide

N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide (PubChem CID 55044432) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide
PubChem CID55044432
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(CC)CCC)cn1
InChIInChI=1S/C12H22N4O2S/c1-4-7-13-12-14-9-11(10-15-12)19(17,18)16(6-3)8-5-2/h9-10H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyZKUBNINYVVNYAV-UHFFFAOYSA-N
XLogP1.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide (CID 55044432) is N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)N(CC)CCC)cn1.
What is the InChIKey of N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide?
The InChIKey is ZKUBNINYVVNYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-7-13-12-14-9-11(10-15-12)19(17,18)16(6-3)8-5-2/h9-10H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide?
N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 55044432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).