2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea

C11H19N5O — CID 113424225

IUPAC2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
SMILESCCCNc1cncc(NCCNC(N)=O)c1
InChIInChI=1S/C11H19N5O/c1-2-3-14-9-6-10(8-13-7-9)15-4-5-16-11(12)17/h6-8,14-15H,2-5H2,1H3,(H3,12,16,17)
InChIKeyHFISTAFJHPNENT-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.98
Rot. Bonds7

About 2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea

2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea (PubChem CID 113424225) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea.

Molecular Properties

Compound Name2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
PubChem CID113424225
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
SMILESCCCNc1cncc(NCCNC(N)=O)c1
InChIInChI=1S/C11H19N5O/c1-2-3-14-9-6-10(8-13-7-9)15-4-5-16-11(12)17/h6-8,14-15H,2-5H2,1H3,(H3,12,16,17)
InChIKeyHFISTAFJHPNENT-UHFFFAOYSA-N
XLogP0.98
TPSA92.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea 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

N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 113423725
3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide
CID 106098779
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117490
2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
CID 104532984
3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea
CID 104535691
N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535849
2-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102719108
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117732
N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535813
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine
CID 104532744
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea?
The IUPAC name of 2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea (CID 113424225) is 2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea.
What is the SMILES notation for 2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea?
The canonical SMILES for 2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea is CCCNc1cncc(NCCNC(N)=O)c1.
What is the InChIKey of 2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea?
The InChIKey is HFISTAFJHPNENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-3-14-9-6-10(8-13-7-9)15-4-5-16-11(12)17/h6-8,14-15H,2-5H2,1H3,(H3,12,16,17).
What are the key properties of 2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea?
2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea has a molecular weight of 237.31 g/mol, XLogP of 0.98, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea is sourced from PubChem (CID 113424225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).