2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide

C15H18N4O — CID 107550918

IUPAC2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C15H18N4O/c1-15(2,3)10-6-4-5-7-12(10)20-14-18-9-8-11(19-14)13(16)17/h4-9H,1-3H3,(H3,16,17)
InChIKeyNWYOWVZTXWIXFV-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.85
Rot. Bonds3

About 2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide

2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide (PubChem CID 107550918) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
PubChem CID107550918
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C15H18N4O/c1-15(2,3)10-6-4-5-7-12(10)20-14-18-9-8-11(19-14)13(16)17/h4-9H,1-3H3,(H3,16,17)
InChIKeyNWYOWVZTXWIXFV-UHFFFAOYSA-N
XLogP2.85
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907160
3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide
CID 62683206
2-(3-methyl-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551063
2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide
CID 107551111
2-(2-methyl-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551225
4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide
CID 62925467
2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551054
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894740
2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551290
2-cycloheptyloxypyrimidine-4-carboximidamide
CID 107551067
2-butan-2-yloxypyrimidine-4-carboximidamide
CID 107551031
2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide
CID 107550845

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide (CID 107550918) is 2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2ccccc2C(C)(C)C)n1.
What is the InChIKey of 2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide?
The InChIKey is NWYOWVZTXWIXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-15(2,3)10-6-4-5-7-12(10)20-14-18-9-8-11(19-14)13(16)17/h4-9H,1-3H3,(H3,16,17).
What are the key properties of 2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide?
2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide has a molecular weight of 270.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).