2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea

C9H16N6O3S — CID 83115138

IUPAC2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea
SMILESCCNc1ncc(S(=O)(=O)NCCNC(N)=O)cn1
InChIInChI=1S/C9H16N6O3S/c1-2-11-9-13-5-7(6-14-9)19(17,18)15-4-3-12-8(10)16/h5-6,15H,2-4H2,1H3,(H3,10,12,16)(H,11,13,14)
InChIKeyXIWJCYPZZQDJNK-UHFFFAOYSA-N
MW288.33 g/mol
LogP-1.14
Rot. Bonds7

About 2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea

2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea (PubChem CID 83115138) has the molecular formula C9H16N6O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea.

Molecular Properties

Compound Name2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea
PubChem CID83115138
Molecular FormulaC9H16N6O3S
Molecular Weight288.33 g/mol
Exact Mass288.10
IUPAC Name2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea
SMILESCCNc1ncc(S(=O)(=O)NCCNC(N)=O)cn1
InChIInChI=1S/C9H16N6O3S/c1-2-11-9-13-5-7(6-14-9)19(17,18)15-4-3-12-8(10)16/h5-6,15H,2-4H2,1H3,(H3,10,12,16)(H,11,13,14)
InChIKeyXIWJCYPZZQDJNK-UHFFFAOYSA-N
XLogP-1.14
TPSA139.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
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-aminopyrimidin-5-yl)sulfonylamino]ethylurea
CID 83115293
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62143309
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide
CID 62144877
N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide
CID 102907919
N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 64582754
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 106408036
2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide
CID 79359680
2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 103011096
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea?
The IUPAC name of 2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea (CID 83115138) is 2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea.
What is the SMILES notation for 2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea?
The canonical SMILES for 2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea is CCNc1ncc(S(=O)(=O)NCCNC(N)=O)cn1.
What is the InChIKey of 2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea?
The InChIKey is XIWJCYPZZQDJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O3S/c1-2-11-9-13-5-7(6-14-9)19(17,18)15-4-3-12-8(10)16/h5-6,15H,2-4H2,1H3,(H3,10,12,16)(H,11,13,14).
What are the key properties of 2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea?
2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea has a molecular weight of 288.33 g/mol, XLogP of -1.14, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea is sourced from PubChem (CID 83115138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).