2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide

C13H16N4O2S — CID 62146342

IUPAC2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C13H16N4O2S/c14-13-15-9-12(10-16-13)20(18,19)17-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2,(H2,14,15,16)
InChIKeyGRLOHTHQKXEIQQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.97
Rot. Bonds6

About 2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide

2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide (PubChem CID 62146342) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
PubChem CID62146342
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C13H16N4O2S/c14-13-15-9-12(10-16-13)20(18,19)17-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2,(H2,14,15,16)
InChIKeyGRLOHTHQKXEIQQ-UHFFFAOYSA-N
XLogP0.97
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 60905954
2-amino-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 62149419
2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide
CID 62146514
5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide
CID 106240972
2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 62162959
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
2-amino-N-ethylpyrimidine-5-sulfonamide
CID 62148318
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
4-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174
N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide
CID 120713435
4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
CID 134060499

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide (CID 62146342) is 2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide is Nc1ncc(S(=O)(=O)NCCCc2ccccc2)cn1.
What is the InChIKey of 2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide?
The InChIKey is GRLOHTHQKXEIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-13-15-9-12(10-16-13)20(18,19)17-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2,(H2,14,15,16).
What are the key properties of 2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide?
2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62146342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).