3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea

C10H17N5O — CID 83116884

IUPAC3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNc1ccc(N)nc1
InChIInChI=1S/C10H17N5O/c1-15(2)10(16)13-6-5-12-8-3-4-9(11)14-7-8/h3-4,7,12H,5-6H2,1-2H3,(H2,11,14)(H,13,16)
InChIKeyCVIYPGYZUSDRKS-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.35
Rot. Bonds4

About 3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea

3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea (PubChem CID 83116884) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea
PubChem CID83116884
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNc1ccc(N)nc1
InChIInChI=1S/C10H17N5O/c1-15(2)10(16)13-6-5-12-8-3-4-9(11)14-7-8/h3-4,7,12H,5-6H2,1-2H3,(H2,11,14)(H,13,16)
InChIKeyCVIYPGYZUSDRKS-UHFFFAOYSA-N
XLogP0.35
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.35
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-anilinoethyl)-1,1-dimethylurea
CID 142040993
N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide
CID 82331694
3-[2-(3-acetyl-4-aminoanilino)ethyl]-1,1-dimethylurea
CID 104613081
N-[2-(dimethylcarbamoylamino)ethyl]-5-hydrazinylpyridine-2-carboxamide
CID 113436386
4-[(6-amino-3-pyridinyl)amino]butanoic acid
CID 117044632
3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea
CID 104535691
3-[2-(3-amino-4-nitroanilino)ethyl]-1,1-dimethylurea
CID 106749520
3-[2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83118129
3-[2-[(5-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83120944
4-[2-(dimethylcarbamoylamino)ethylamino]-2-methylbenzoic acid
CID 113400031
3-[2-(2-amino-3-fluoroanilino)ethyl]-1,1-dimethylurea
CID 83116888
3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 114285886

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea (CID 83116884) is 3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNc1ccc(N)nc1.
What is the InChIKey of 3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The InChIKey is CVIYPGYZUSDRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15(2)10(16)13-6-5-12-8-3-4-9(11)14-7-8/h3-4,7,12H,5-6H2,1-2H3,(H2,11,14)(H,13,16).
What are the key properties of 3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea?
3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea has a molecular weight of 223.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83116884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).