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'}

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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).