2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide

C13H23N5O2 — CID 136907412

IUPAC2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide
SMILESCC(C)N(CCOc1nccc(/C(N)=N/O)n1)C(C)C
InChIInChI=1S/C13H23N5O2/c1-9(2)18(10(3)4)7-8-20-13-15-6-5-11(16-13)12(14)17-19/h5-6,9-10,19H,7-8H2,1-4H3,(H2,14,17)
InChIKeyKKZOSJWAMBAZGM-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.07
Rot. Bonds7

About 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide

2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136907412) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136907412
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide
SMILESCC(C)N(CCOc1nccc(/C(N)=N/O)n1)C(C)C
InChIInChI=1S/C13H23N5O2/c1-9(2)18(10(3)4)7-8-20-13-15-6-5-11(16-13)12(14)17-19/h5-6,9-10,19H,7-8H2,1-4H3,(H2,14,17)
InChIKeyKKZOSJWAMBAZGM-UHFFFAOYSA-N
XLogP1.07
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide (CID 136907412) is 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide is CC(C)N(CCOc1nccc(/C(N)=N/O)n1)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is KKZOSJWAMBAZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-9(2)18(10(3)4)7-8-20-13-15-6-5-11(16-13)12(14)17-19/h5-6,9-10,19H,7-8H2,1-4H3,(H2,14,17).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide?
2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 281.36 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136907412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).