N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide

C12H22N4O2S — CID 62147457

IUPACN-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NCC(C)(C)C)cn1
InChIInChI=1S/C12H22N4O2S/c1-5-6-13-11-14-7-10(8-15-11)19(17,18)16-9-12(2,3)4/h7-8,16H,5-6,9H2,1-4H3,(H,13,14,15)
InChIKeySGOWLESXFYTUND-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.62
Rot. Bonds6

About N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide

N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide (PubChem CID 62147457) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide
PubChem CID62147457
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NCC(C)(C)C)cn1
InChIInChI=1S/C12H22N4O2S/c1-5-6-13-11-14-7-10(8-15-11)19(17,18)16-9-12(2,3)4/h7-8,16H,5-6,9H2,1-4H3,(H,13,14,15)
InChIKeySGOWLESXFYTUND-UHFFFAOYSA-N
XLogP1.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 62142703
N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62144387
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide
CID 62157737
N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62147723
N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62150752
N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 62145628
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62158251
2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide
CID 66353570
2-chloro-N-propylpyrimidine-5-sulfonamide
CID 43456271
N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 55044432

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide (CID 62147457) is N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)NCC(C)(C)C)cn1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide?
The InChIKey is SGOWLESXFYTUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-6-13-11-14-7-10(8-15-11)19(17,18)16-9-12(2,3)4/h7-8,16H,5-6,9H2,1-4H3,(H,13,14,15).
What are the key properties of N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide?
N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62147457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).