2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate

C9H14N4O2 — CID 83202225

IUPAC2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate
SMILESCc1cnc(NCCOC(N)=O)c(N)c1
InChIInChI=1S/C9H14N4O2/c1-6-4-7(10)8(13-5-6)12-2-3-15-9(11)14/h4-5H,2-3,10H2,1H3,(H2,11,14)(H,12,13)
InChIKeyXYDJYZHGIALCSA-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.48
Rot. Bonds4

About 2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate

2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate (PubChem CID 83202225) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate
PubChem CID83202225
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate
SMILESCc1cnc(NCCOC(N)=O)c(N)c1
InChIInChI=1S/C9H14N4O2/c1-6-4-7(10)8(13-5-6)12-2-3-15-9(11)14/h4-5H,2-3,10H2,1H3,(H2,11,14)(H,12,13)
InChIKeyXYDJYZHGIALCSA-UHFFFAOYSA-N
XLogP0.48
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate 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

2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 105367093
2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine
CID 66278004
3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 66280637
2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate
CID 83215057
3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide
CID 66281292
4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol
CID 66278456
2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine
CID 66281077
2-N-(cyclopropylmethyl)-5-methylpyridine-2,3-diamine
CID 66281261
5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine
CID 82057653
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 66278899
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate
CID 83204495

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate (CID 83202225) is 2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate is Cc1cnc(NCCOC(N)=O)c(N)c1.
What is the InChIKey of 2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate?
The InChIKey is XYDJYZHGIALCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-4-7(10)8(13-5-6)12-2-3-15-9(11)14/h4-5H,2-3,10H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate?
2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate has a molecular weight of 210.24 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate is sourced from PubChem (CID 83202225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).