3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea

C14H23N5O2 — CID 83107212

IUPAC3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNc1ccc(N)c(OCC2CC2)n1
InChIInChI=1S/C14H23N5O2/c1-19(2)14(20)17-8-7-16-12-6-5-11(15)13(18-12)21-9-10-3-4-10/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyLNRPBZACOAFXMY-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.14
Rot. Bonds7

About 3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea

3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea (PubChem CID 83107212) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea
PubChem CID83107212
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNc1ccc(N)c(OCC2CC2)n1
InChIInChI=1S/C14H23N5O2/c1-19(2)14(20)17-8-7-16-12-6-5-11(15)13(18-12)21-9-10-3-4-10/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyLNRPBZACOAFXMY-UHFFFAOYSA-N
XLogP1.14
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea with MolForge

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Related Compounds

4-[[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 106120160
2-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethoxy]ethanol
CID 62498443
6-(cyclopropylmethoxy)-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine
CID 60914941
1-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol
CID 43498896
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
CID 103106685
6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine
CID 80684692
1-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-ethylpentan-2-ol
CID 106284306
6-(cyclopropylmethoxy)-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,5-diamine
CID 80685641
5-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid
CID 114408700
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol
CID 62524145
6-(cyclopropylmethoxy)-2-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
CID 62323028
3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-methylamino]-N-methylpropanamide
CID 106914165

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea (CID 83107212) is 3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNc1ccc(N)c(OCC2CC2)n1.
What is the InChIKey of 3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea?
The InChIKey is LNRPBZACOAFXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-19(2)14(20)17-8-7-16-12-6-5-11(15)13(18-12)21-9-10-3-4-10/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of 3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea?
3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea has a molecular weight of 293.37 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83107212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).