2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate

C8H13N5O2 — CID 83201893

IUPAC2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate
SMILESNC(=O)OCCNc1ccc(N)c(N)n1
InChIInChI=1S/C8H13N5O2/c9-5-1-2-6(13-7(5)10)12-3-4-15-8(11)14/h1-2H,3-4,9H2,(H2,11,14)(H3,10,12,13)
InChIKeyFUYUZGGOCXNCRF-UHFFFAOYSA-N
MW211.23 g/mol
LogP-0.25
Rot. Bonds4

About 2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate

2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate (PubChem CID 83201893) has the molecular formula C8H13N5O2 and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate
PubChem CID83201893
Molecular FormulaC8H13N5O2
Molecular Weight211.23 g/mol
Exact Mass211.11
IUPAC Name2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate
SMILESNC(=O)OCCNc1ccc(N)c(N)n1
InChIInChI=1S/C8H13N5O2/c9-5-1-2-6(13-7(5)10)12-3-4-15-8(11)14/h1-2H,3-4,9H2,(H2,11,14)(H3,10,12,13)
InChIKeyFUYUZGGOCXNCRF-UHFFFAOYSA-N
XLogP-0.25
TPSA129.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 5-0.25
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-[(5,6-diamino-2-pyridinyl)amino]ethoxy]acetamide
CID 106234451
2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate
CID 83214804
2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl carbamate
CID 83205321
2-[2-[(5-amino-6-methoxy-2-pyridinyl)amino]ethoxy]acetamide
CID 106234342
2-[(5,6-diamino-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 79825795
2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate
CID 83215450
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
N-[2-[(5,6-diamino-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 79826427
6-N-ethylpyridine-2,3,6-triamine
CID 79822372
N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide
CID 79825438
2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate
CID 83203413
2-[2-[(5-amino-6-propoxy-2-pyridinyl)amino]ethoxy]acetamide
CID 106234525

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate?
The IUPAC name of 2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate (CID 83201893) is 2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate is NC(=O)OCCNc1ccc(N)c(N)n1.
What is the InChIKey of 2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate?
The InChIKey is FUYUZGGOCXNCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-5-1-2-6(13-7(5)10)12-3-4-15-8(11)14/h1-2H,3-4,9H2,(H2,11,14)(H3,10,12,13).
What are the key properties of 2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate?
2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate has a molecular weight of 211.23 g/mol, XLogP of -0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate is sourced from PubChem (CID 83201893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).