2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide

C15H11BrN4O — CID 107550845

IUPAC2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C15H11BrN4O/c16-11-3-1-10-8-12(4-2-9(10)7-11)21-15-19-6-5-13(20-15)14(17)18/h1-8H,(H3,17,18)
InChIKeyPJJRXLASOWORNQ-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.47
Rot. Bonds3

About 2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide

2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide (PubChem CID 107550845) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide
PubChem CID107550845
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C15H11BrN4O/c16-11-3-1-10-8-12(4-2-9(10)7-11)21-15-19-6-5-13(20-15)14(17)18/h1-8H,(H3,17,18)
InChIKeyPJJRXLASOWORNQ-UHFFFAOYSA-N
XLogP3.47
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.47
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-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide
CID 107551111
2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide
CID 107551013
2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551054
2-cycloheptyloxypyrimidine-4-carboximidamide
CID 107551067
2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
CID 107550918
2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551192
2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551290
2-(2,4-dibromophenoxy)pyrimidine-4-carbothioamide
CID 107548659
2-butan-2-yloxypyrimidine-4-carboximidamide
CID 107551031
2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551129
2-(2-methyl-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551225
2-(oxan-4-ylmethoxy)pyrimidine-4-carboximidamide
CID 107551116

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide (CID 107550845) is 2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2ccc3cc(Br)ccc3c2)n1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide?
The InChIKey is PJJRXLASOWORNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-11-3-1-10-8-12(4-2-9(10)7-11)21-15-19-6-5-13(20-15)14(17)18/h1-8H,(H3,17,18).
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide?
2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide has a molecular weight of 343.18 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide is sourced from PubChem (CID 107550845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).