(4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate

C8H11ClN4O2 — CID 91619520

IUPAC(4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate
SMILESCCNC(=O)Oc1cc(N)c(N)c(Cl)n1
InChIInChI=1S/C8H11ClN4O2/c1-2-12-8(14)15-5-3-4(10)6(11)7(9)13-5/h3H,2,11H2,1H3,(H2,10,13)(H,12,14)
InChIKeyDEKWTNCEGOWQQY-UHFFFAOYSA-N
MW230.66 g/mol
LogP1.01
Rot. Bonds2

About (4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate

(4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate (PubChem CID 91619520) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.66 g/mol. Its IUPAC name is (4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate.

Molecular Properties

Compound Name(4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate
PubChem CID91619520
Molecular FormulaC8H11ClN4O2
Molecular Weight230.66 g/mol
Exact Mass230.06
IUPAC Name(4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate
SMILESCCNC(=O)Oc1cc(N)c(N)c(Cl)n1
InChIInChI=1S/C8H11ClN4O2/c1-2-12-8(14)15-5-3-4(10)6(11)7(9)13-5/h3H,2,11H2,1H3,(H2,10,13)(H,12,14)
InChIKeyDEKWTNCEGOWQQY-UHFFFAOYSA-N
XLogP1.01
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dichlorobenzene;ethyl N-ethylcarbamate
CID 174679223
[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N-ethylcarbamate
CID 122601855
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
azane;ethyl N-ethylcarbamate
CID 88547448
(4-bromo-2-methylphenyl) N-ethylcarbamate
CID 54003233
(3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate
CID 88876218
ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
CID 134671239
ethyl 3-amino-2-chloropyridine-4-carboxylate;ethyl 3-amino-2,6-dichloropyridine-4-carboxylate
CID 167658682
ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 62189875
hydrazinyl N-ethylcarbamate
CID 54234991
ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 22677283
(6-chloro-7-nitroquinazolin-2-yl) N-ethylcarbamate
CID 174300644

Frequently Asked Questions

What is the IUPAC name of (4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate?
The IUPAC name of (4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate (CID 91619520) is (4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate.
What is the SMILES notation for (4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate?
The canonical SMILES for (4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate is CCNC(=O)Oc1cc(N)c(N)c(Cl)n1.
What is the InChIKey of (4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate?
The InChIKey is DEKWTNCEGOWQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c1-2-12-8(14)15-5-3-4(10)6(11)7(9)13-5/h3H,2,11H2,1H3,(H2,10,13)(H,12,14).
What are the key properties of (4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate?
(4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate has a molecular weight of 230.66 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diamino-6-chloro-2-pyridinyl) N-ethylcarbamate is sourced from PubChem (CID 91619520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).