3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea

C10H16ClN5O — CID 114285886

IUPAC3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNc1c(N)cncc1Cl
InChIInChI=1S/C10H16ClN5O/c1-16(2)10(17)15-4-3-14-9-7(11)5-13-6-8(9)12/h5-6H,3-4,12H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyVUQWMYBPGGHLBF-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.00
Rot. Bonds4

About 3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea

3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea (PubChem CID 114285886) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea
PubChem CID114285886
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNc1c(N)cncc1Cl
InChIInChI=1S/C10H16ClN5O/c1-16(2)10(17)15-4-3-14-9-7(11)5-13-6-8(9)12/h5-6H,3-4,12H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyVUQWMYBPGGHLBF-UHFFFAOYSA-N
XLogP1.00
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4,6-diamino-3-chloro-2-fluoroanilino)ethyl]-1,1-dimethylurea
CID 103553391
3-[2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83118129
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine
CID 114285908
3-[(3-amino-5-chloro-4-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114285890
3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83116884
3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117480
3-[2-[(8-aminoisoquinolin-5-yl)amino]ethyl]-1,1-dimethylurea
CID 83115992
3-[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118369
3-[2-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108751
3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83116624
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 83111827
3-[2-[(2-amino-5-chlorophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108543

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea (CID 114285886) is 3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNc1c(N)cncc1Cl.
What is the InChIKey of 3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The InChIKey is VUQWMYBPGGHLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-16(2)10(17)15-4-3-14-9-7(11)5-13-6-8(9)12/h5-6H,3-4,12H2,1-2H3,(H,13,14)(H,15,17).
What are the key properties of 3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea?
3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea has a molecular weight of 257.72 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 114285886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).