N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide

C13H25N5O2S — CID 62143309

IUPACN-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCCCN(CC)CC)cn1
InChIInChI=1S/C13H25N5O2S/c1-4-14-13-15-10-12(11-16-13)21(19,20)17-8-7-9-18(5-2)6-3/h10-11,17H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyDQAWODRPJGYYOW-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.92
Rot. Bonds10

About N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide

N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide (PubChem CID 62143309) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide
PubChem CID62143309
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC NameN-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCCCN(CC)CC)cn1
InChIInChI=1S/C13H25N5O2S/c1-4-14-13-15-10-12(11-16-13)21(19,20)17-8-7-9-18(5-2)6-3/h10-11,17H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyDQAWODRPJGYYOW-UHFFFAOYSA-N
XLogP0.92
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea
CID 83115138
N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62143133
2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide
CID 79359680
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 43453969
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 64582754
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide
CID 102907919
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 106408036
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide
CID 62144877
N-[5-(diethylamino)pentyl]benzenesulfonamide
CID 110444587
N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
CID 6735582
N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide (CID 62143309) is N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NCCCN(CC)CC)cn1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide?
The InChIKey is DQAWODRPJGYYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-4-14-13-15-10-12(11-16-13)21(19,20)17-8-7-9-18(5-2)6-3/h10-11,17H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide?
N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.92, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62143309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).