5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide

C9H15N5O3S — CID 106240972

IUPAC5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide
SMILESNC(=O)CCCCNS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C9H15N5O3S/c10-8(15)3-1-2-4-14-18(16,17)7-5-12-9(11)13-6-7/h5-6,14H,1-4H2,(H2,10,15)(H2,11,12,13)
InChIKeyZPXOQVFJRUUWOG-UHFFFAOYSA-N
MW273.32 g/mol
LogP-1.01
Rot. Bonds7

About 5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide

5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide (PubChem CID 106240972) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide
PubChem CID106240972
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide
SMILESNC(=O)CCCCNS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C9H15N5O3S/c10-8(15)3-1-2-4-14-18(16,17)7-5-12-9(11)13-6-7/h5-6,14H,1-4H2,(H2,10,15)(H2,11,12,13)
InChIKeyZPXOQVFJRUUWOG-UHFFFAOYSA-N
XLogP-1.01
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
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
2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide
CID 106241017
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
5-[(4-hydroxyphenyl)sulfonylamino]pentanamide
CID 114162417
2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 62162959
2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 62146342
2-amino-N-ethylpyrimidine-5-sulfonamide
CID 62148318
2-amino-N-[2-(dimethylamino)ethyl]pyrimidine-5-sulfonamide
CID 62149164
5-[(4-carbamothioylphenyl)sulfonylamino]pentanamide
CID 106237168
5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240785
5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide
CID 106233682
5-[(5-amino-5-oxopentyl)sulfamoyl]-2-iodobenzoic acid
CID 106234811

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide?
The IUPAC name of 5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide (CID 106240972) is 5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide.
What is the SMILES notation for 5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide?
The canonical SMILES for 5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide is NC(=O)CCCCNS(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide?
The InChIKey is ZPXOQVFJRUUWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c10-8(15)3-1-2-4-14-18(16,17)7-5-12-9(11)13-6-7/h5-6,14H,1-4H2,(H2,10,15)(H2,11,12,13).
What are the key properties of 5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide?
5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide has a molecular weight of 273.32 g/mol, XLogP of -1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide is sourced from PubChem (CID 106240972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).