N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide

C12H22N4O2S — CID 64582754

IUPACN-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCC(C)C(C)C)cn1
InChIInChI=1S/C12H22N4O2S/c1-5-13-12-14-7-11(8-15-12)19(17,18)16-6-10(4)9(2)3/h7-10,16H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyXERFJDQPSODDNR-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.48
Rot. Bonds7

About N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide

N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide (PubChem CID 64582754) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide
PubChem CID64582754
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCC(C)C(C)C)cn1
InChIInChI=1S/C12H22N4O2S/c1-5-13-12-14-7-11(8-15-12)19(17,18)16-6-10(4)9(2)3/h7-10,16H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyXERFJDQPSODDNR-UHFFFAOYSA-N
XLogP1.48
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide (CID 64582754) is N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NCC(C)C(C)C)cn1.
What is the InChIKey of N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The InChIKey is XERFJDQPSODDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-13-12-14-7-11(8-15-12)19(17,18)16-6-10(4)9(2)3/h7-10,16H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 64582754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).