1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine

C17H16BrN5 — CID 11545176

IUPAC1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCc1cc(C)nc(/N=C(\N)Nc2ccc(Br)c3ccccc23)n1
InChIInChI=1S/C17H16BrN5/c1-10-9-11(2)21-17(20-10)23-16(19)22-15-8-7-14(18)12-5-3-4-6-13(12)15/h3-9H,1-2H3,(H3,19,20,21,22,23)
InChIKeyXRIGJYPNKSJHTA-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.07
Rot. Bonds2

About 1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine

1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine (PubChem CID 11545176) has the molecular formula C17H16BrN5 and a molecular weight of 370.25 g/mol. Its IUPAC name is 1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
PubChem CID11545176
Molecular FormulaC17H16BrN5
Molecular Weight370.25 g/mol
Exact Mass369.06
IUPAC Name1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCc1cc(C)nc(/N=C(\N)Nc2ccc(Br)c3ccccc23)n1
InChIInChI=1S/C17H16BrN5/c1-10-9-11(2)21-17(20-10)23-16(19)22-15-8-7-14(18)12-5-3-4-6-13(12)15/h3-9H,1-2H3,(H3,19,20,21,22,23)
InChIKeyXRIGJYPNKSJHTA-UHFFFAOYSA-N
XLogP4.07
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine
CID 2886994
2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine
CID 2268324
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine
CID 2864540
1-(4-butyl-2-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 11638181
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine
CID 71550817
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine
CID 2873992
1-(3-tert-butylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 58638812
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine;hydrochloride
CID 171152064
N-[4-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]propanamide
CID 3363508
2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 78108509
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine
CID 11537543
2-(2-bromo-3-methylphenyl)-1-naphthalen-1-ylguanidine
CID 139844863

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The IUPAC name of 1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine (CID 11545176) is 1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The canonical SMILES for 1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine is Cc1cc(C)nc(/N=C(\N)Nc2ccc(Br)c3ccccc23)n1.
What is the InChIKey of 1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The InChIKey is XRIGJYPNKSJHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5/c1-10-9-11(2)21-17(20-10)23-16(19)22-15-8-7-14(18)12-5-3-4-6-13(12)15/h3-9H,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine has a molecular weight of 370.25 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine is sourced from PubChem (CID 11545176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).