2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea

C13H24N6O — CID 83117732

IUPAC2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
SMILESCCCNc1ncnc(NCCNC(N)=O)c1CCC
InChIInChI=1S/C13H24N6O/c1-3-5-10-11(15-6-4-2)18-9-19-12(10)16-7-8-17-13(14)20/h9H,3-8H2,1-2H3,(H3,14,17,20)(H2,15,16,18,19)
InChIKeyNBZXSFJUTYNQGC-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.33
Rot. Bonds9

About 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea

2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea (PubChem CID 83117732) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea.

Molecular Properties

Compound Name2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
PubChem CID83117732
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
SMILESCCCNc1ncnc(NCCNC(N)=O)c1CCC
InChIInChI=1S/C13H24N6O/c1-3-5-10-11(15-6-4-2)18-9-19-12(10)16-7-8-17-13(14)20/h9H,3-8H2,1-2H3,(H3,14,17,20)(H2,15,16,18,19)
InChIKeyNBZXSFJUTYNQGC-UHFFFAOYSA-N
XLogP1.33
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]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-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80788303
methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80802366
N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80783919
4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839637
2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779958
(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848746
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea
CID 83118452
ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate
CID 80817030
2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
CID 113424225
4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839154
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117490
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351

Frequently Asked Questions

What is the IUPAC name of 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea?
The IUPAC name of 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea (CID 83117732) is 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea.
What is the SMILES notation for 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea?
The canonical SMILES for 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea is CCCNc1ncnc(NCCNC(N)=O)c1CCC.
What is the InChIKey of 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea?
The InChIKey is NBZXSFJUTYNQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-3-5-10-11(15-6-4-2)18-9-19-12(10)16-7-8-17-13(14)20/h9H,3-8H2,1-2H3,(H3,14,17,20)(H2,15,16,18,19).
What are the key properties of 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea?
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea has a molecular weight of 280.38 g/mol, XLogP of 1.33, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea is sourced from PubChem (CID 83117732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).